PDBID stringlengths 4 4 | Resolution stringlengths 1 13 | Year int64 1.98k 2.02k | Ligand Name stringlengths 1 7 | Ligand Chain stringclasses 53
values | Ligand Residue Number stringlengths 1 9 | Binding Affinity Measurement stringclasses 4
values | Binding Affinity Sign stringclasses 6
values | Binding Affinity Value float64 0 500M | Binding Affinity Unit stringclasses 6
values | Log Binding Affinity float64 -14 2.97 ⌀ | Binding Affinity Source stringclasses 3
values | Binding Affinity Annotation stringlengths 6 72 | Protein UniProtID stringlengths 6 55 ⌀ | Protein UniProtName stringlengths 2 575 ⌀ | Ligand SMILES stringlengths 4 352 | Ligand MW float64 44 1.82k | Ligand LogP float64 -23.01 13.7 | Ligand TPSA float64 0 786 | Ligand NumRotBond int64 0 59 | Ligand NumHeavyAtoms int64 3 120 | Ligand NumHDon int64 0 30 | Ligand NumHAcc int64 0 56 | Ligand QED float64 0.01 0.95 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1ghv | 1.85 | 2,002 | 120 | H | 246 | ki | = | 45 | uM | -4.346787 | MOAD | Ki=45.0uM | P00734,P00734 | THROMBIN,THROMBIN | NC(=[NH2+])c1ccc2[nH]c(-c3ccc[nH]c3=O)nc2c1 | 254.273 | -0.6174 | 113.15 | 2 | 19 | 4 | 2 | 0.360884 |
1ghw | 1.75 | 2,002 | BMZ | H | 246 | ki | = | 4 | uM | -5.39794 | MOAD | Ki=4.0uM | P00734,P00734 | THROMBIN,THROMBIN | NC(=[NH2+])c1ccc2[nH]c(-c3ccccc3O)nc2c1 | 253.285 | 0.3999 | 100.52 | 2 | 19 | 4 | 2 | 0.392591 |
1ghy | 1.85 | 2,002 | 121 | H | 246 | ki | = | 0.008 | uM | -8.09691 | MOAD | Ki=0.008uM | P00734,P00734 | THROMBIN,THROMBIN | NC(=[NH2+])c1ccc2[nH]c(-c3ncccc3O)nc2c1 | 254.273 | -0.2051 | 113.41 | 2 | 19 | 4 | 3 | 0.374201 |
1ghz | 1.39 | 2,002 | 120 | A | 246 | ki | = | 16 | uM | -4.79588 | MOAD | Ki=16.0uM | P00760 | BETA-TRYPSIN | NC(=[NH2+])c1ccc2[nH]c(-c3ccc[nH]c3=O)nc2c1 | 254.273 | -0.6174 | 113.15 | 2 | 19 | 4 | 2 | 0.360884 |
1gi1 | 1.42 | 2,002 | BMZ | A | 246 | ki | = | 3.6 | uM | -5.443697 | MOAD | Ki=3.6uM | P00760 | BETA-TRYPSIN | NC(=[NH2+])c1ccc2[nH]c(-c3ccccc3O)nc2c1 | 253.285 | 0.3999 | 100.52 | 2 | 19 | 4 | 2 | 0.392591 |
1gi2 | 1.38 | 2,002 | 122 | A | 246 | ki | = | 3,600 | nM | -5.443697 | BindingDB | Ki=3600nM | P00760 | BETA-TRYPSIN | NC(=[NH2+])c1ccc2nc(-c3ccccc3O)[nH]c2c1 | 253.285 | 0.3999 | 100.52 | 2 | 19 | 4 | 2 | 0.392591 |
1gi4 | 1.37 | 2,002 | 122 | A | 246 | ki | = | 0.065 | uM | -7.187087 | MOAD | Ki=0.065uM | P00760 | BETA-TRYPSIN | NC(=[NH2+])c1ccc2nc(-c3ccccc3O)[nH]c2c1 | 253.285 | 0.3999 | 100.52 | 2 | 19 | 4 | 2 | 0.392591 |
1gi6 | 1.49 | 2,002 | 124 | A | 246 | ki | = | 1.7 | uM | -5.769551 | MOAD | Ki=1.7uM | P00760 | BETA-TRYPSIN | NC(=[NH2+])c1ccc2[nH]c(-c3ccccc3O)cc2c1 | 252.297 | 1.0049 | 87.63 | 2 | 19 | 4 | 1 | 0.404899 |
1gi7 | 1.79 | 2,002 | 120 | B | 246 | ki | = | 31 | uM | -4.508638 | MOAD | Ki=31.0uM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | NC(=[NH2+])c1ccc2[nH]c(-c3ccc[nH]c3=O)nc2c1 | 254.273 | -0.6174 | 113.15 | 2 | 19 | 4 | 2 | 0.360884 |
1gi9 | 1.8 | 2,002 | 123 | B | 246 | ki | = | 1.1 | uM | -5.958607 | MOAD | Ki=1.1uM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | COc1ccc(O)c(-c2nc3cc(C(N)=[NH2+])ccc3[nH]2)c1 | 283.311 | 0.4085 | 109.75 | 3 | 21 | 4 | 3 | 0.411955 |
1gih | 2.8 | 2,002 | 1PU | A | 501 | ic50 | = | 80 | nM | -7.09691 | BindingDB | IC50=80nM | P24941 | CELL DIVISION PROTEIN KINASE 2 | O=C(Nc1ccccn1)Nc1cccc2c1[C@H]1CCCN1C2=O | 308.341 | 3.0163 | 74.33 | 2 | 23 | 2 | 3 | 0.895262 |
1gii | 2.0 | 2,002 | 1PU | A | 501 | ic50 | = | 80 | nM | -7.09691 | BindingDB | IC50=80nM | P24941 | CELL DIVISION PROTEIN KINASE 2 | O=C(Nc1ccccn1)Nc1cccc2c1[C@H]1CCCN1C2=O | 308.341 | 3.0163 | 74.33 | 2 | 23 | 2 | 3 | 0.895262 |
1gj4 | 1.81 | 2,002 | 132 | H | 410 | ki | = | 60,000 | nM | -4.221849 | BindingDB | Ki=60000nM | P00734,P00734 | THROMBIN,THROMBIN | NC(=[NH2+])c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl | 362.84 | 3.3253 | 87.63 | 3 | 26 | 4 | 1 | 0.332564 |
1gj6 | 1.5 | 2,002 | 132 | A | 246 | ki | = | 0.23 | uM | -6.638272 | MOAD | Ki=0.23uM | P00760 | BETA-TRYPSIN | NC(=[NH2+])c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl | 362.84 | 3.3253 | 87.63 | 3 | 26 | 4 | 1 | 0.332564 |
1gj7 | 1.5 | 2,002 | 132 | B | 251 | ki | = | 0.009 | uM | -8.045757 | MOAD | Ki=0.009uM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | NC(=[NH2+])c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl | 362.84 | 3.3253 | 87.63 | 3 | 26 | 4 | 1 | 0.332564 |
1gj8 | 1.64 | 2,002 | 133 | B | 251 | ki | = | 0.11 | uM | -6.958607 | MOAD | Ki=0.11uM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | CC(C)COc1cccc(-c2nc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1O | 343.382 | 1.5738 | 109.75 | 5 | 25 | 4 | 3 | 0.416275 |
1gj9 | 1.8 | 2,002 | 134 | B | 251 | ki | = | 0.011 | uM | -7.958607 | MOAD | Ki=0.011uM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | C[C@H]1CCCC[C@@H]1Oc1cccc(-c2cc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1O | 382.459 | 3.1015 | 96.86 | 4 | 28 | 4 | 2 | 0.412283 |
1gja | 1.56 | 2,002 | 135 | B | 251 | ki | = | 3.8 | uM | -5.420216 | MOAD | Ki=3.8uM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | NC(=[NH2+])c1ccc(NC(=O)c2ccccc2O)cc1 | 256.285 | 0.1089 | 100.94 | 3 | 19 | 4 | 2 | 0.462824 |
1gjb | 1.9 | 2,002 | 130 | B | 251 | ki | = | 0.45 | uM | -6.346787 | MOAD | Ki=0.45uM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | NC(=[NH2+])c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)nc2c1 | 329.383 | 2.0669 | 100.52 | 3 | 25 | 4 | 2 | 0.341779 |
1gjc | 1.73 | 2,002 | 130 | B | 251 | ki | = | 0.45 | uM | -6.346787 | MOAD | Ki=0.45uM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | NC(=[NH2+])c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)nc2c1 | 329.383 | 2.0669 | 100.52 | 3 | 25 | 4 | 2 | 0.341779 |
1gjd | 1.75 | 2,002 | 136 | B | 251 | ki | = | 6 | uM | -5.221849 | MOAD | Ki=6.0uM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(N)=[NH2+])c(Cl)c2)c1 | 430.653 | 1.67532 | 100.94 | 3 | 22 | 4 | 2 | 0.338476 |
1gpk | 2.1 | 2,002 | HUP | A | 1540 | ki | = | 4.3 | uM | -5.366532 | MOAD | Ki=4.3uM | P04058 | ACETYLCHOLINESTERASE | C/C=C1\[C@@H]2C=C(C)C[C@@]1([NH3+])c1ccc(=O)[nH]c1C2 | 243.33 | 1.2807 | 60.5 | 0 | 18 | 2 | 1 | 0.662515 |
1gpn | 2.35 | 2,002 | HUB | A | 1538 | ki | = | 0.334 | uM | -6.476254 | MOAD | Ki=0.334uM | P04058 | ACETYLCHOLINESTERASE | CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@]3(C1)[NH2+]CCC[C@H]23 | 257.357 | 1.0659 | 49.47 | 0 | 19 | 2 | 1 | 0.671041 |
1gpy | 2.4 | 1,993 | G6P | A | 998 | kd | ~ | 25 | uM | -4.60206 | MOAD | Kd~25.0uM | P00489 | GLYCOGEN PHOSPHORYLASE B | O=P([O-])([O-])OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O | 258.119 | -4.3684 | 162.57 | 3 | 16 | 4 | 9 | 0.365942 |
1gqr | 2.2 | 2,002 | SAF | A | 1998 | ki | = | 700 | nM | -6.154902 | BindingDB | Ki=700nM | P04058 | ACETYLCHOLINESTERASE | C[C@@H](c1cccc(O)c1)[NH+](C)C | 166.244 | 0.5977 | 24.67 | 2 | 12 | 2 | 1 | 0.660383 |
1gqs | 3.0 | 2,002 | SAF | A | 603 | ki | = | 700 | nM | -6.154902 | BindingDB | Ki=700nM | P04058 | ACETYLCHOLINESTERASE | C[C@@H](c1cccc(O)c1)[NH+](C)C | 166.244 | 0.5977 | 24.67 | 2 | 12 | 2 | 1 | 0.660383 |
1gr2 | 1.9 | 1,998 | KAI | A | 999 | ki | = | 3,690 | nM | -5.432974 | BindingDB | EC50=380000nM,Ki=3690nM | P19491 | PROTEIN (GLUTAMATE RECEPTOR 2) | C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-] | 212.225 | -3.3696 | 96.87 | 4 | 15 | 1 | 4 | 0.49181 |
1gro | 2.5 | 1,996 | ICT | A | 418 | ki | = | 0.033 | uM | -7.481486 | MOAD | Ki=0.033uM | P08200 | ISOCITRATE DEHYDROGENASE | O=C([O-])C[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-] | 189.099 | -5.3967 | 140.62 | 5 | 13 | 1 | 7 | 0.45446 |
1grp | 2.5 | 1,996 | ICT | A | 418 | ki | = | 0.189 | mM | -3.723538 | MOAD | Ki=0.189mM | P08200 | ISOCITRATE DEHYDROGENASE | O=C([O-])C[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-] | 189.099 | -5.3967 | 140.62 | 5 | 13 | 1 | 7 | 0.45446 |
1gsf | 2.7 | 1,995 | EAA | D | 223 | ic50 | = | 5,000 | nM | -5.30103 | BindingDB | IC50=5000nM | P08263,P08263 | GLUTATHIONE TRANSFERASE A1-1,GLUTATHIONE TRANSFERASE A1-1 | C=C(CC)C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl | 302.133 | 2.271 | 66.43 | 6 | 19 | 0 | 4 | 0.597004 |
1gsf | 2.7 | 1,995 | EAA | C | 223 | ic50 | = | 5,000 | nM | -5.30103 | BindingDB | IC50=5000nM | P08263,P08263 | GLUTATHIONE TRANSFERASE A1-1,GLUTATHIONE TRANSFERASE A1-1 | C=C(CC)C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl | 302.133 | 2.271 | 66.43 | 6 | 19 | 0 | 4 | 0.597004 |
1gsf | 2.7 | 1,995 | EAA | A | 223 | ic50 | = | 5,000 | nM | -5.30103 | BindingDB | IC50=5000nM | P08263,P08263 | GLUTATHIONE TRANSFERASE A1-1,GLUTATHIONE TRANSFERASE A1-1 | C=C(CC)C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl | 302.133 | 2.271 | 66.43 | 6 | 19 | 0 | 4 | 0.597004 |
1gsf | 2.7 | 1,995 | EAA | B | 223 | ic50 | = | 5,000 | nM | -5.30103 | BindingDB | IC50=5000nM | P08263,P08263 | GLUTATHIONE TRANSFERASE A1-1,GLUTATHIONE TRANSFERASE A1-1 | C=C(CC)C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl | 302.133 | 2.271 | 66.43 | 6 | 19 | 0 | 4 | 0.597004 |
1gss | 2.8 | 1,994 | LEE | A | 208 | ki | = | 10,000 | nM | -5 | BindingDB | Ki=10000nM,IC50=1.31e+5nM | P09211,P09211 | GLUTATHIONE S-TRANSFERASE,GLUTATHIONE S-TRANSFERASE | CCCCCCSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] | 390.482 | -3.2086 | 166.1 | 15 | 26 | 3 | 7 | 0.247424 |
1gss | 2.8 | 1,994 | LEE | B | 208 | ki | = | 10,000 | nM | -5 | BindingDB | Ki=10000nM,IC50=1.31e+5nM | P09211,P09211 | GLUTATHIONE S-TRANSFERASE,GLUTATHIONE S-TRANSFERASE | CCCCCCSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] | 390.482 | -3.2086 | 166.1 | 15 | 26 | 3 | 7 | 0.247424 |
1gt1 | 1.71 | 2,003 | PRZ | A | 1160 | kd | = | 3.3 | uM | -5.481486 | MOAD | Kd=3.3uM | P07435,P07435 | ODORANT-BINDING PROTEIN,ODORANT-BINDING PROTEIN | COc1nccnc1CC(C)C | 166.224 | 1.6837 | 35.01 | 3 | 12 | 0 | 3 | 0.684918 |
1gt1 | 1.71 | 2,003 | ANC | B | 1158 | kd | = | 1 | uM | -6 | MOAD | Kd=1.0uM | P07435,P07435 | ODORANT-BINDING PROTEIN,ODORANT-BINDING PROTEIN | Nc1cccc2cc3ccccc3cc12 | 193.249 | 3.5752 | 26.02 | 0 | 15 | 1 | 1 | 0.428359 |
1gt1 | 1.71 | 2,003 | 3OM | B | 1159 | kd | = | 1.2 | uM | -5.920819 | MOAD | Kd=1.2uM | P07435,P07435 | ODORANT-BINDING PROTEIN,ODORANT-BINDING PROTEIN | C=C[C@H](O)CCCCC | 128.215 | 2.1136 | 20.23 | 5 | 9 | 1 | 1 | 0.443876 |
1gt1 | 1.71 | 2,003 | ANC | A | 1161 | kd | = | 1 | uM | -6 | MOAD | Kd=1.0uM | P07435,P07435 | ODORANT-BINDING PROTEIN,ODORANT-BINDING PROTEIN | Nc1cccc2cc3ccccc3cc12 | 193.249 | 3.5752 | 26.02 | 0 | 15 | 1 | 1 | 0.428359 |
1gt3 | 1.8 | 2,003 | DHM | A | 1160 | kd | = | 0.35 | uM | -6.455932 | MOAD | Kd=0.35uM | P07435,P07435 | ODORANT-BINDING PROTEIN,ODORANT-BINDING PROTEIN | C=C[C@H](C)CCCC(C)(C)O | 156.269 | 2.7497 | 20.23 | 5 | 11 | 1 | 1 | 0.606745 |
1gt3 | 1.8 | 2,003 | DHM | B | 1159 | kd | = | 0.35 | uM | -6.455932 | MOAD | Kd=0.35uM | P07435,P07435 | ODORANT-BINDING PROTEIN,ODORANT-BINDING PROTEIN | C=C[C@H](C)CCCC(C)(C)O | 156.269 | 2.7497 | 20.23 | 5 | 11 | 1 | 1 | 0.606745 |
1gt4 | 2.1 | 2,003 | UNA | A | 1160 | kd | = | 0.3 | uM | -6.522879 | MOAD | Kd=0.3uM | P07435,P07435 | ODORANT-BINDING PROTEIN,ODORANT-BINDING PROTEIN | CCCCCCCCCCC=O | 170.296 | 3.7161 | 17.07 | 9 | 12 | 0 | 1 | 0.380559 |
1gt4 | 2.1 | 2,003 | UNA | B | 1158 | kd | = | 0.3 | uM | -6.522879 | MOAD | Kd=0.3uM | P07435,P07435 | ODORANT-BINDING PROTEIN,ODORANT-BINDING PROTEIN | CCCCCCCCCCC=O | 170.296 | 3.7161 | 17.07 | 9 | 12 | 0 | 1 | 0.380559 |
1gt5 | 2.08 | 2,003 | BZQ | B | 1158 | kd | = | 0.8 | uM | -6.09691 | MOAD | Kd=0.8uM | P07435,P07435 | ODORANT-BINDING PROTEIN,ODORANT-BINDING PROTEIN | O=C(c1ccccc1)c1ccccc1 | 182.222 | 2.9176 | 17.07 | 2 | 14 | 0 | 1 | 0.652473 |
1gu1 | 1.8 | 2,002 | FA1 | K | 201 | ki | = | 30 | uM | -4.522879 | MOAD | Ki=30.0uM | P15474,P15474,P15474 | 3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
1gu1 | 1.8 | 2,002 | FA1 | L | 201 | ki | = | 30 | uM | -4.522879 | MOAD | Ki=30.0uM | P15474,P15474,P15474 | 3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
1gu1 | 1.8 | 2,002 | FA1 | A | 201 | ki | = | 30 | uM | -4.522879 | MOAD | Ki=30.0uM | P15474,P15474,P15474 | 3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
1gu1 | 1.8 | 2,002 | FA1 | B | 201 | ki | = | 30 | uM | -4.522879 | MOAD | Ki=30.0uM | P15474,P15474,P15474 | 3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
1gu1 | 1.8 | 2,002 | FA1 | C | 201 | ki | = | 30 | uM | -4.522879 | MOAD | Ki=30.0uM | P15474,P15474,P15474 | 3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
1gu1 | 1.8 | 2,002 | FA1 | D | 201 | ki | = | 30 | uM | -4.522879 | MOAD | Ki=30.0uM | P15474,P15474,P15474 | 3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
1gu1 | 1.8 | 2,002 | FA1 | E | 201 | ki | = | 30 | uM | -4.522879 | MOAD | Ki=30.0uM | P15474,P15474,P15474 | 3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
1gu1 | 1.8 | 2,002 | FA1 | F | 201 | ki | = | 30 | uM | -4.522879 | MOAD | Ki=30.0uM | P15474,P15474,P15474 | 3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
1gu1 | 1.8 | 2,002 | FA1 | G | 201 | ki | = | 30 | uM | -4.522879 | MOAD | Ki=30.0uM | P15474,P15474,P15474 | 3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
1gu1 | 1.8 | 2,002 | FA1 | H | 201 | ki | = | 30 | uM | -4.522879 | MOAD | Ki=30.0uM | P15474,P15474,P15474 | 3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
1gu1 | 1.8 | 2,002 | FA1 | I | 201 | ki | = | 30 | uM | -4.522879 | MOAD | Ki=30.0uM | P15474,P15474,P15474 | 3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
1gu1 | 1.8 | 2,002 | FA1 | J | 201 | ki | = | 30 | uM | -4.522879 | MOAD | Ki=30.0uM | P15474,P15474,P15474 | 3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE,3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
1gua | 2.0 | 1,997 | GNP | A | 170 | kd | = | 40 | nM | -7.39794 | MOAD | Kd=40.0nM | P62834,P04049 | RAP1A,C-RAF1 | Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])NP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 518.165 | -5.2907 | 313.22 | 8 | 32 | 5 | 17 | 0.203675 |
1gux | 1.85 | 1,998 | ASP-ASN | E | 1-9 | kd | = | 110 | nM | -6.958607 | MOAD | Kd=110.0nM | P06400 | RETINOBLASTOMA PROTEIN | CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)N[C@@H](CC(N)=O)C(=O)[O-] | 1,158.255 | -8.0452 | 507.47 | 36 | 81 | 14 | 19 | 0.028186 |
1gvw | 1.0 | 2,002 | 0EM | A | 401 | ki | = | 110 | nM | -6.958607 | MOAD | Ki=110.0nM | P11838 | ENDOTHIAPEPSIN | CC[C@H](C)CNC(=O)C[P@@](=O)([O-])[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C | 661.761 | 2.8621 | 194.44 | 17 | 46 | 5 | 8 | 0.159699 |
1gw6 | 2.2 | 2,003 | BES | A | 1611 | kd | = | 2,050 | nM | -5.688246 | BindingDB | IC50=4000nM,Kd=2050nM,Ki=320nM | P09960 | LEUKOTRIENE A-4 HYDROLASE | CC(C)C[C@H](NC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)[O-] | 308.378 | -1.5187 | 117.1 | 8 | 22 | 3 | 4 | 0.540483 |
1gwv | 2.5 | 2,003 | UDP | B | 1369 | kd | = | 0.053 | mM | -4.275724 | MOAD | Kd=0.053mM | P14769 | N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE | O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 401.137 | -4.5139 | 226.33 | 6 | 25 | 3 | 13 | 0.383169 |
1gwv | 2.5 | 2,003 | BGC-GAL | C | 1-2 | kd | = | 2.68 | mM | -2.571865 | MOAD | Kd=2.68mM | P14769 | N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O | 342.297 | -5.3972 | 189.53 | 4 | 23 | 8 | 11 | 0.243258 |
1gwv | 2.5 | 2,003 | BGC-GAL | D | 1-2 | kd | = | 2.68 | mM | -2.571865 | MOAD | Kd=2.68mM | P14769 | N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O | 342.297 | -5.3972 | 189.53 | 4 | 23 | 8 | 11 | 0.243258 |
1gwv | 2.5 | 2,003 | UDP | A | 1369 | kd | = | 0.053 | mM | -4.275724 | MOAD | Kd=0.053mM | P14769 | N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE | O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 401.137 | -4.5139 | 226.33 | 6 | 25 | 3 | 13 | 0.383169 |
1gwx | 2.5 | 2,000 | 433 | A | 1 | ec50 | = | 190 | nM | -6.721246 | BindingDB | EC50=190nM | Q03181 | PROTEIN (PPAR-DELTA) | CC(C)(Oc1ccc(CCCN(CCc2c(F)cccc2Cl)C(=O)Nc2cccc(Cl)c2Cl)cc1)C(=O)[O-] | 580.891 | 6.4026 | 81.7 | 11 | 38 | 1 | 4 | 0.284462 |
1gwx | 2.5 | 2,000 | 433 | B | 2 | ec50 | = | 190 | nM | -6.721246 | BindingDB | EC50=190nM | Q03181 | PROTEIN (PPAR-DELTA) | CC(C)(Oc1ccc(CCCN(CCc2c(F)cccc2Cl)C(=O)Nc2cccc(Cl)c2Cl)cc1)C(=O)[O-] | 580.891 | 6.4026 | 81.7 | 11 | 38 | 1 | 4 | 0.284462 |
1gx4 | 1.46 | 2,003 | UDP | A | 401 | kd | = | 0.053 | mM | -4.275724 | MOAD | Kd=0.053mM | P14769 | N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE | O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 401.137 | -4.5139 | 226.33 | 6 | 25 | 3 | 13 | 0.383169 |
1gx4 | 1.46 | 2,003 | UDP | B | 401 | kd | = | 0.053 | mM | -4.275724 | MOAD | Kd=0.053mM | P14769 | N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE | O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 401.137 | -4.5139 | 226.33 | 6 | 25 | 3 | 13 | 0.383169 |
1gx8 | 2.4 | 2,002 | RTL | A | 1163 | kd | = | 36 | nM | -7.443697 | BindingDB | Kd=36nM | P02754 | BETA-LACTOGLOBULIN | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1 | 286.459 | 5.5103 | 20.23 | 5 | 21 | 1 | 1 | 0.660593 |
1gym | 2.2 | 1,996 | MYG | A | 702 | ic50 | = | 2 | mM | -2.69897 | MOAD | ic50=2.0mM | P14262 | PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C | [NH3+][C@H]1[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O | 342.321 | -6.7608 | 207.94 | 3 | 23 | 9 | 10 | 0.236587 |
1gyx | 1.35 | 2,002 | BEZ | A | 1077 | ki | = | 3.3 | mM | -2.481486 | MOAD | Ki=3.3mM | P31992,P31992 | HYPOTHETICAL PROTEIN YDCE,HYPOTHETICAL PROTEIN YDCE | O=C([O-])c1ccccc1 | 121.115 | 0.0501 | 40.13 | 1 | 9 | 0 | 2 | 0.526318 |
1gyy | 1.35 | 2,002 | FHC | A | 500 | ki | = | 230 | uM | -3.638272 | MOAD | Ki=230.0uM | P31992,P31992 | HYPOTHETICAL PROTEIN YDCE,HYPOTHETICAL PROTEIN YDCE | O=C([O-])/C(F)=C\c1ccc(O)cc1 | 181.142 | 0.4525 | 60.36 | 2 | 13 | 1 | 3 | 0.673691 |
1gyy | 1.35 | 2,002 | FHC | B | 500 | ki | = | 230 | uM | -3.638272 | MOAD | Ki=230.0uM | P31992,P31992 | HYPOTHETICAL PROTEIN YDCE,HYPOTHETICAL PROTEIN YDCE | O=C([O-])/C(F)=C\c1ccc(O)cc1 | 181.142 | 0.4525 | 60.36 | 2 | 13 | 1 | 3 | 0.673691 |
1gz3 | 2.3 | 2,003 | ATP | A | 601 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P23368 | NAD-dependent malic enzyme, mitochondrial | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
1gz3 | 2.3 | 2,003 | ATP | B | 601 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P23368 | NAD-dependent malic enzyme, mitochondrial | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
1gz3 | 2.3 | 2,003 | ATP | C | 601 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P23368 | NAD-dependent malic enzyme, mitochondrial | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
1gz3 | 2.3 | 2,003 | ATP | D | 601 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P23368 | NAD-dependent malic enzyme, mitochondrial | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
1gz4 | 2.2 | 2,002 | ATP | D | 601 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P23368 | NAD-DEPENDENT MALIC ENZYME | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
1gz4 | 2.2 | 2,002 | ATP | C | 601 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P23368 | NAD-DEPENDENT MALIC ENZYME | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
1gz4 | 2.2 | 2,002 | ATP | C | 602 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P23368,P23368 | NAD-DEPENDENT MALIC ENZYME,NAD-DEPENDENT MALIC ENZYME | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
1gz4 | 2.2 | 2,002 | ATP | D | 602 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P23368,P23368 | NAD-DEPENDENT MALIC ENZYME,NAD-DEPENDENT MALIC ENZYME | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
1gz4 | 2.2 | 2,002 | ATP | B | 602 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P23368,P23368 | NAD-DEPENDENT MALIC ENZYME,NAD-DEPENDENT MALIC ENZYME | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
1gz4 | 2.2 | 2,002 | ATP | A | 602 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P23368,P23368 | NAD-DEPENDENT MALIC ENZYME,NAD-DEPENDENT MALIC ENZYME | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
1gz4 | 2.2 | 2,002 | ATP | A | 601 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P23368 | NAD-DEPENDENT MALIC ENZYME | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
1gz4 | 2.2 | 2,002 | ATP | B | 601 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P23368 | NAD-DEPENDENT MALIC ENZYME | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
1gz9 | 1.7 | 2,002 | BGC-FUC | B | 1-3 | kd | = | 0.31 | mM | -3.508638 | MOAD | Kd=0.31mM | P83410 | ERYTHRINA CRISTA-GALLI LECTIN | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O | 488.439 | -6.5454 | 248.45 | 6 | 33 | 10 | 15 | 0.166843 |
1gzc | 1.58 | 2,002 | BGC-GAL | B | 1-2 | kd | = | 0.32 | mM | -3.49485 | MOAD | Kd=0.32mM | P83410 | ERYTHRINA CRISTA-GALLI LECTIN | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O | 342.297 | -5.3972 | 189.53 | 4 | 23 | 8 | 11 | 0.243258 |
1gzf | 1.95 | 2,002 | NAD | A | 1248 | kd | = | 60 | uM | -4.221849 | MOAD | Kd=60.0uM | P15879,P15879 | MONO-ADP-RIBOSYLTRANSFERASE C3,MONO-ADP-RIBOSYLTRANSFERASE C3 | NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1 | 662.422 | -4.2799 | 323.92 | 11 | 44 | 6 | 19 | 0.083532 |
1gzf | 1.95 | 2,002 | NAD | B | 1252 | kd | = | 60 | uM | -4.221849 | MOAD | Kd=60.0uM | P15879 | MONO-ADP-RIBOSYLTRANSFERASE C3 | NC(=O)c1ccc[n+]([C@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1 | 662.422 | -4.2799 | 323.92 | 11 | 44 | 6 | 19 | 0.083532 |
1gzt | 1.3 | 2,002 | FUC | A | 201 | ic50 | = | 0.25 | mM | -3.60206 | MOAD | ic50=0.25mM | Q9HYN5,Q9HYN5 | FUCOSE-SPECIFIC LECTIN,FUCOSE-SPECIFIC LECTIN | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
1gzt | 1.3 | 2,002 | FUC | B | 201 | ic50 | = | 0.25 | mM | -3.60206 | MOAD | ic50=0.25mM | Q9HYN5,Q9HYN5 | FUCOSE-SPECIFIC LECTIN,FUCOSE-SPECIFIC LECTIN | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
1gzt | 1.3 | 2,002 | FUC | C | 201 | ic50 | = | 0.25 | mM | -3.60206 | MOAD | ic50=0.25mM | Q9HYN5,Q9HYN5 | FUCOSE-SPECIFIC LECTIN,FUCOSE-SPECIFIC LECTIN | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
1gzt | 1.3 | 2,002 | FUC | D | 201 | ic50 | = | 0.25 | mM | -3.60206 | MOAD | ic50=0.25mM | Q9HYN5,Q9HYN5 | FUCOSE-SPECIFIC LECTIN,FUCOSE-SPECIFIC LECTIN | C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O | 164.157 | -2.1938 | 90.15 | 0 | 11 | 4 | 5 | 0.326216 |
1h01 | 1.79 | 2,003 | FBL | A | 302 | ic50 | = | 22 | uM | -4.657577 | MOAD | ic50=22.0uM | P24941 | CYCLIN-DEPENDENT KINASE 2 | C[NH+](C)C[C@H](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1 | 449.362 | 3.1548 | 83.74 | 9 | 30 | 4 | 6 | 0.401935 |
1h01 | 1.79 | 2,003 | FAL | A | 301 | ic50 | = | 22 | uM | -4.657577 | MOAD | ic50=22.0uM | P24941 | CYCLIN-DEPENDENT KINASE 2 | C[NH+](C)C[C@@H](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1 | 449.362 | 3.1548 | 83.74 | 9 | 30 | 4 | 6 | 0.401935 |
1h07 | 1.85 | 2,003 | MFP | A | 301 | ic50 | = | 3 | uM | -5.522879 | MOAD | ic50=3.0uM | P24941 | CELL DIVISION PROTEIN KINASE 2 | Cc1ccc(N(CC#N)c2cc(Nc3ccc(OC[C@H](O)C[NH+](C)C)cc3)ncn2)c(Br)c1 | 512.432 | 2.837 | 98.74 | 10 | 33 | 3 | 7 | 0.359628 |
1h07 | 1.85 | 2,003 | MFQ | A | 302 | ic50 | = | 3 | uM | -5.522879 | MOAD | ic50=3.0uM | P24941 | CELL DIVISION PROTEIN KINASE 2 | Cc1ccc(N(CC#N)c2cc(Nc3ccc(OC[C@@H](O)C[NH+](C)C)cc3)ncn2)c(Br)c1 | 512.432 | 2.837 | 98.74 | 10 | 33 | 3 | 7 | 0.359628 |
1h08 | 1.8 | 2,003 | BWP | A | 300 | ic50 | = | 300 | nM | -6.522879 | BindingDB | IC50=300nM | P24941 | CELL DIVISION PROTEIN KINASE 2 | C[NH+](C)C[C@H](O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1 | 459.368 | 2.6105 | 83.74 | 9 | 29 | 4 | 6 | 0.39401 |
1h0a | 1.7 | 2,002 | I3P | A | 1164 | kd | = | 3.6 | uM | -5.443697 | MOAD | Kd=3.6uM | O88339 | EPSIN | O=P([O-])([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O | 414.045 | -7.2756 | 277.95 | 6 | 24 | 3 | 15 | 0.340261 |
1h0r | 2.1 | 2,003 | FA1 | A | 200 | ki | = | 200 | uM | -3.69897 | MOAD | Ki=200.0uM | P9WPX7 | 3-DEHYDROQUINATE DEHYDRATASE | O=C([O-])[C@]1(O)C=C[C@@H](O)[C@H](O)C1 | 173.144 | -2.8509 | 100.82 | 1 | 12 | 3 | 5 | 0.370389 |
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