complex_id stringlengths 6 8 | ligand_pdbqt_path stringlengths 34 38 | target_pdbqt_path stringlengths 34 38 | decoys_pdbqt_path stringlengths 34 38 ⌀ | decoy_scores_csv_path stringlengths 38 42 ⌀ |
|---|---|---|---|---|
3SKH-058 | data/3S/3SKH-058/3SKH-058_ligand.pdbqt | data/3S/3SKH-058/3SKH-058_target.pdbqt | data/3S/3SKH-058/3SKH-058_decoys.pdbqt | data/3S/3SKH-058/3SKH-058_decoy_scores.csv |
3SX0-SX0 | data/3S/3SX0-SX0/3SX0-SX0_ligand.pdbqt | data/3S/3SX0-SX0/3SX0-SX0_target.pdbqt | data/3S/3SX0-SX0/3SX0-SX0_decoys.pdbqt | data/3S/3SX0-SX0/3SX0-SX0_decoy_scores.csv |
3SUW-GC2 | data/3S/3SUW-GC2/3SUW-GC2_ligand.pdbqt | data/3S/3SUW-GC2/3SUW-GC2_target.pdbqt | data/3S/3SUW-GC2/3SUW-GC2_decoys.pdbqt | data/3S/3SUW-GC2/3SUW-GC2_decoy_scores.csv |
3SE2-LDR | data/3S/3SE2-LDR/3SE2-LDR_ligand.pdbqt | data/3S/3SE2-LDR/3SE2-LDR_target.pdbqt | data/3S/3SE2-LDR/3SE2-LDR_decoys.pdbqt | data/3S/3SE2-LDR/3SE2-LDR_decoy_scores.csv |
3SHA-P97 | data/3S/3SHA-P97/3SHA-P97_ligand.pdbqt | data/3S/3SHA-P97/3SHA-P97_target.pdbqt | data/3S/3SHA-P97/3SHA-P97_decoys.pdbqt | data/3S/3SHA-P97/3SHA-P97_decoy_scores.csv |
3SYM-GP0 | data/3S/3SYM-GP0/3SYM-GP0_ligand.pdbqt | data/3S/3SYM-GP0/3SYM-GP0_target.pdbqt | data/3S/3SYM-GP0/3SYM-GP0_decoys.pdbqt | data/3S/3SYM-GP0/3SYM-GP0_decoy_scores.csv |
3SG9-KAN | data/3S/3SG9-KAN/3SG9-KAN_ligand.pdbqt | data/3S/3SG9-KAN/3SG9-KAN_target.pdbqt | data/3S/3SG9-KAN/3SG9-KAN_decoys.pdbqt | data/3S/3SG9-KAN/3SG9-KAN_decoy_scores.csv |
3SMC-LE3 | data/3S/3SMC-LE3/3SMC-LE3_ligand.pdbqt | data/3S/3SMC-LE3/3SMC-LE3_target.pdbqt | data/3S/3SMC-LE3/3SMC-LE3_decoys.pdbqt | data/3S/3SMC-LE3/3SMC-LE3_decoy_scores.csv |
3SAZ-043 | data/3S/3SAZ-043/3SAZ-043_ligand.pdbqt | data/3S/3SAZ-043/3SAZ-043_target.pdbqt | data/3S/3SAZ-043/3SAZ-043_decoys.pdbqt | data/3S/3SAZ-043/3SAZ-043_decoy_scores.csv |
3S2I-NAD | data/3S/3S2I-NAD/3S2I-NAD_ligand.pdbqt | data/3S/3S2I-NAD/3S2I-NAD_target.pdbqt | data/3S/3S2I-NAD/3S2I-NAD_decoys.pdbqt | data/3S/3S2I-NAD/3S2I-NAD_decoy_scores.csv |
3SXH-THP | data/3S/3SXH-THP/3SXH-THP_ligand.pdbqt | data/3S/3SXH-THP/3SXH-THP_target.pdbqt | data/3S/3SXH-THP/3SXH-THP_decoys.pdbqt | data/3S/3SXH-THP/3SXH-THP_decoy_scores.csv |
3SRU-Q26 | data/3S/3SRU-Q26/3SRU-Q26_ligand.pdbqt | data/3S/3SRU-Q26/3SRU-Q26_target.pdbqt | data/3S/3SRU-Q26/3SRU-Q26_decoys.pdbqt | data/3S/3SRU-Q26/3SRU-Q26_decoy_scores.csv |
3S4J-UNV | data/3S/3S4J-UNV/3S4J-UNV_ligand.pdbqt | data/3S/3S4J-UNV/3S4J-UNV_target.pdbqt | data/3S/3S4J-UNV/3S4J-UNV_decoys.pdbqt | data/3S/3S4J-UNV/3S4J-UNV_decoy_scores.csv |
3SIX-GDP | data/3S/3SIX-GDP/3SIX-GDP_ligand.pdbqt | data/3S/3SIX-GDP/3SIX-GDP_target.pdbqt | data/3S/3SIX-GDP/3SIX-GDP_decoys.pdbqt | data/3S/3SIX-GDP/3SIX-GDP_decoy_scores.csv |
3SRC-28N | data/3S/3SRC-28N/3SRC-28N_ligand.pdbqt | data/3S/3SRC-28N/3SRC-28N_target.pdbqt | data/3S/3SRC-28N/3SRC-28N_decoys.pdbqt | data/3S/3SRC-28N/3SRC-28N_decoy_scores.csv |
3S0N-0BB | data/3S/3S0N-0BB/3S0N-0BB_ligand.pdbqt | data/3S/3S0N-0BB/3S0N-0BB_target.pdbqt | data/3S/3S0N-0BB/3S0N-0BB_decoys.pdbqt | data/3S/3S0N-0BB/3S0N-0BB_decoy_scores.csv |
3SZG-DND | data/3S/3SZG-DND/3SZG-DND_ligand.pdbqt | data/3S/3SZG-DND/3SZG-DND_target.pdbqt | data/3S/3SZG-DND/3SZG-DND_decoys.pdbqt | data/3S/3SZG-DND/3SZG-DND_decoy_scores.csv |
3S43-478 | data/3S/3S43-478/3S43-478_ligand.pdbqt | data/3S/3S43-478/3S43-478_target.pdbqt | data/3S/3S43-478/3S43-478_decoys.pdbqt | data/3S/3S43-478/3S43-478_decoy_scores.csv |
3S1W-FLC | data/3S/3S1W-FLC/3S1W-FLC_ligand.pdbqt | data/3S/3S1W-FLC/3S1W-FLC_target.pdbqt | data/3S/3S1W-FLC/3S1W-FLC_decoys.pdbqt | data/3S/3S1W-FLC/3S1W-FLC_decoy_scores.csv |
3SKE-054 | data/3S/3SKE-054/3SKE-054_ligand.pdbqt | data/3S/3SKE-054/3SKE-054_target.pdbqt | data/3S/3SKE-054/3SKE-054_decoys.pdbqt | data/3S/3SKE-054/3SKE-054_decoy_scores.csv |
3SW8-5LI | data/3S/3SW8-5LI/3SW8-5LI_ligand.pdbqt | data/3S/3SW8-5LI/3SW8-5LI_target.pdbqt | data/3S/3SW8-5LI/3SW8-5LI_decoys.pdbqt | data/3S/3SW8-5LI/3SW8-5LI_decoy_scores.csv |
3S2Z-DHC | data/3S/3S2Z-DHC/3S2Z-DHC_ligand.pdbqt | data/3S/3S2Z-DHC/3S2Z-DHC_target.pdbqt | data/3S/3S2Z-DHC/3S2Z-DHC_decoys.pdbqt | data/3S/3S2Z-DHC/3S2Z-DHC_decoy_scores.csv |
3S53-017 | data/3S/3S53-017/3S53-017_ligand.pdbqt | data/3S/3S53-017/3S53-017_target.pdbqt | data/3S/3S53-017/3S53-017_decoys.pdbqt | data/3S/3S53-017/3S53-017_decoy_scores.csv |
3STT-DKA | data/3S/3STT-DKA/3STT-DKA_ligand.pdbqt | data/3S/3STT-DKA/3STT-DKA_target.pdbqt | data/3S/3STT-DKA/3STT-DKA_decoys.pdbqt | data/3S/3STT-DKA/3STT-DKA_decoy_scores.csv |
3SXD-GAL | data/3S/3SXD-GAL/3SXD-GAL_ligand.pdbqt | data/3S/3SXD-GAL/3SXD-GAL_target.pdbqt | data/3S/3SXD-GAL/3SXD-GAL_decoys.pdbqt | data/3S/3SXD-GAL/3SXD-GAL_decoy_scores.csv |
3SA8-K83 | data/3S/3SA8-K83/3SA8-K83_ligand.pdbqt | data/3S/3SA8-K83/3SA8-K83_target.pdbqt | data/3S/3SA8-K83/3SA8-K83_decoys.pdbqt | data/3S/3SA8-K83/3SA8-K83_decoy_scores.csv |
3S04-RAM | data/3S/3S04-RAM/3S04-RAM_ligand.pdbqt | data/3S/3S04-RAM/3S04-RAM_target.pdbqt | data/3S/3S04-RAM/3S04-RAM_decoys.pdbqt | data/3S/3S04-RAM/3S04-RAM_decoy_scores.csv |
3SWE-EPZ | data/3S/3SWE-EPZ/3SWE-EPZ_ligand.pdbqt | data/3S/3SWE-EPZ/3SWE-EPZ_target.pdbqt | data/3S/3SWE-EPZ/3SWE-EPZ_decoys.pdbqt | data/3S/3SWE-EPZ/3SWE-EPZ_decoy_scores.csv |
3S3G-TLT | data/3S/3S3G-TLT/3S3G-TLT_ligand.pdbqt | data/3S/3S3G-TLT/3S3G-TLT_target.pdbqt | data/3S/3S3G-TLT/3S3G-TLT_decoys.pdbqt | data/3S/3S3G-TLT/3S3G-TLT_decoy_scores.csv |
3S1L-P6G | data/3S/3S1L-P6G/3S1L-P6G_ligand.pdbqt | data/3S/3S1L-P6G/3S1L-P6G_target.pdbqt | data/3S/3S1L-P6G/3S1L-P6G_decoys.pdbqt | data/3S/3S1L-P6G/3S1L-P6G_decoy_scores.csv |
3SX5-UDP | data/3S/3SX5-UDP/3SX5-UDP_ligand.pdbqt | data/3S/3SX5-UDP/3SX5-UDP_target.pdbqt | data/3S/3SX5-UDP/3SX5-UDP_decoys.pdbqt | data/3S/3SX5-UDP/3SX5-UDP_decoy_scores.csv |
3S2L-LDE | data/3S/3S2L-LDE/3S2L-LDE_ligand.pdbqt | data/3S/3S2L-LDE/3S2L-LDE_target.pdbqt | data/3S/3S2L-LDE/3S2L-LDE_decoys.pdbqt | data/3S/3S2L-LDE/3S2L-LDE_decoy_scores.csv |
3SFY-3FY | data/3S/3SFY-3FY/3SFY-3FY_ligand.pdbqt | data/3S/3SFY-3FY/3SFY-3FY_target.pdbqt | data/3S/3SFY-3FY/3SFY-3FY_decoys.pdbqt | data/3S/3SFY-3FY/3SFY-3FY_decoy_scores.csv |
3SUT-OAN | data/3S/3SUT-OAN/3SUT-OAN_ligand.pdbqt | data/3S/3SUT-OAN/3SUT-OAN_target.pdbqt | data/3S/3SUT-OAN/3SUT-OAN_decoys.pdbqt | data/3S/3SUT-OAN/3SUT-OAN_decoy_scores.csv |
3S8X-E59 | data/3S/3S8X-E59/3S8X-E59_ligand.pdbqt | data/3S/3S8X-E59/3S8X-E59_target.pdbqt | data/3S/3S8X-E59/3S8X-E59_decoys.pdbqt | data/3S/3S8X-E59/3S8X-E59_decoy_scores.csv |
3SL4-JN4 | data/3S/3SL4-JN4/3SL4-JN4_ligand.pdbqt | data/3S/3SL4-JN4/3SL4-JN4_target.pdbqt | data/3S/3SL4-JN4/3SL4-JN4_decoys.pdbqt | data/3S/3SL4-JN4/3SL4-JN4_decoy_scores.csv |
3SA9-A68 | data/3S/3SA9-A68/3SA9-A68_ligand.pdbqt | data/3S/3SA9-A68/3SA9-A68_target.pdbqt | data/3S/3SA9-A68/3SA9-A68_decoys.pdbqt | data/3S/3SA9-A68/3SA9-A68_decoy_scores.csv |
3S45-478 | data/3S/3S45-478/3S45-478_ligand.pdbqt | data/3S/3S45-478/3S45-478_target.pdbqt | data/3S/3S45-478/3S45-478_decoys.pdbqt | data/3S/3S45-478/3S45-478_decoy_scores.csv |
3SSO-SAH | data/3S/3SSO-SAH/3SSO-SAH_ligand.pdbqt | data/3S/3SSO-SAH/3SSO-SAH_target.pdbqt | data/3S/3SSO-SAH/3SSO-SAH_decoys.pdbqt | data/3S/3SSO-SAH/3SSO-SAH_decoy_scores.csv |
3SA3-23X | data/3S/3SA3-23X/3SA3-23X_ligand.pdbqt | data/3S/3SA3-23X/3SA3-23X_target.pdbqt | data/3S/3SA3-23X/3SA3-23X_decoys.pdbqt | data/3S/3SA3-23X/3SA3-23X_decoy_scores.csv |
3S9T-BCN | data/3S/3S9T-BCN/3S9T-BCN_ligand.pdbqt | data/3S/3S9T-BCN/3S9T-BCN_target.pdbqt | data/3S/3S9T-BCN/3S9T-BCN_decoys.pdbqt | data/3S/3S9T-BCN/3S9T-BCN_decoy_scores.csv |
3SAB-F78 | data/3S/3SAB-F78/3SAB-F78_ligand.pdbqt | data/3S/3SAB-F78/3SAB-F78_target.pdbqt | data/3S/3SAB-F78/3SAB-F78_decoys.pdbqt | data/3S/3SAB-F78/3SAB-F78_decoy_scores.csv |
3SZ3-TRP | data/3S/3SZ3-TRP/3SZ3-TRP_ligand.pdbqt | data/3S/3SZ3-TRP/3SZ3-TRP_target.pdbqt | data/3S/3SZ3-TRP/3SZ3-TRP_decoys.pdbqt | data/3S/3SZ3-TRP/3SZ3-TRP_decoy_scores.csv |
3SVQ-H4B | data/3S/3SVQ-H4B/3SVQ-H4B_ligand.pdbqt | data/3S/3SVQ-H4B/3SVQ-H4B_target.pdbqt | data/3S/3SVQ-H4B/3SVQ-H4B_decoys.pdbqt | data/3S/3SVQ-H4B/3SVQ-H4B_decoy_scores.csv |
3SHL-THP | data/3S/3SHL-THP/3SHL-THP_ligand.pdbqt | data/3S/3SHL-THP/3SHL-THP_target.pdbqt | data/3S/3SHL-THP/3SHL-THP_decoys.pdbqt | data/3S/3SHL-THP/3SHL-THP_decoy_scores.csv |
3SX3-GAL | data/3S/3SX3-GAL/3SX3-GAL_ligand.pdbqt | data/3S/3SX3-GAL/3SX3-GAL_target.pdbqt | data/3S/3SX3-GAL/3SX3-GAL_decoys.pdbqt | data/3S/3SX3-GAL/3SX3-GAL_decoy_scores.csv |
3SA1-6DR | data/3S/3SA1-6DR/3SA1-6DR_ligand.pdbqt | data/3S/3SA1-6DR/3SA1-6DR_target.pdbqt | data/3S/3SA1-6DR/3SA1-6DR_decoys.pdbqt | data/3S/3SA1-6DR/3SA1-6DR_decoy_scores.csv |
3S4Q-NK0 | data/3S/3S4Q-NK0/3S4Q-NK0_ligand.pdbqt | data/3S/3S4Q-NK0/3S4Q-NK0_target.pdbqt | data/3S/3S4Q-NK0/3S4Q-NK0_decoys.pdbqt | data/3S/3S4Q-NK0/3S4Q-NK0_decoy_scores.csv |
3S04-02U | data/3S/3S04-02U/3S04-02U_ligand.pdbqt | data/3S/3S04-02U/3S04-02U_target.pdbqt | data/3S/3S04-02U/3S04-02U_decoys.pdbqt | data/3S/3S04-02U/3S04-02U_decoy_scores.csv |
3S2F-NAD | data/3S/3S2F-NAD/3S2F-NAD_ligand.pdbqt | data/3S/3S2F-NAD/3S2F-NAD_target.pdbqt | data/3S/3S2F-NAD/3S2F-NAD_decoys.pdbqt | data/3S/3S2F-NAD/3S2F-NAD_decoy_scores.csv |
3SUS-GNL | data/3S/3SUS-GNL/3SUS-GNL_ligand.pdbqt | data/3S/3SUS-GNL/3SUS-GNL_target.pdbqt | data/3S/3SUS-GNL/3SUS-GNL_decoys.pdbqt | data/3S/3SUS-GNL/3SUS-GNL_decoy_scores.csv |
3SV9-SV6 | data/3S/3SV9-SV6/3SV9-SV6_ligand.pdbqt | data/3S/3SV9-SV6/3SV9-SV6_target.pdbqt | data/3S/3SV9-SV6/3SV9-SV6_decoys.pdbqt | data/3S/3SV9-SV6/3SV9-SV6_decoy_scores.csv |
3SUV-NOK | data/3S/3SUV-NOK/3SUV-NOK_ligand.pdbqt | data/3S/3SUV-NOK/3SUV-NOK_target.pdbqt | data/3S/3SUV-NOK/3SUV-NOK_decoys.pdbqt | data/3S/3SUV-NOK/3SUV-NOK_decoy_scores.csv |
3SH9-BB0 | data/3S/3SH9-BB0/3SH9-BB0_ligand.pdbqt | data/3S/3SH9-BB0/3SH9-BB0_target.pdbqt | data/3S/3SH9-BB0/3SH9-BB0_decoys.pdbqt | data/3S/3SH9-BB0/3SH9-BB0_decoy_scores.csv |
3SAY-OFT | data/3S/3SAY-OFT/3SAY-OFT_ligand.pdbqt | data/3S/3SAY-OFT/3SAY-OFT_target.pdbqt | data/3S/3SAY-OFT/3SAY-OFT_decoys.pdbqt | data/3S/3SAY-OFT/3SAY-OFT_decoy_scores.csv |
3SJ6-RIP | data/3S/3SJ6-RIP/3SJ6-RIP_ligand.pdbqt | data/3S/3SJ6-RIP/3SJ6-RIP_target.pdbqt | data/3S/3SJ6-RIP/3SJ6-RIP_decoys.pdbqt | data/3S/3SJ6-RIP/3SJ6-RIP_decoy_scores.csv |
3S4B-GLC | data/3S/3S4B-GLC/3S4B-GLC_ligand.pdbqt | data/3S/3S4B-GLC/3S4B-GLC_target.pdbqt | data/3S/3S4B-GLC/3S4B-GLC_decoys.pdbqt | data/3S/3S4B-GLC/3S4B-GLC_decoy_scores.csv |
3SGV-2BJ | data/3S/3SGV-2BJ/3SGV-2BJ_ligand.pdbqt | data/3S/3SGV-2BJ/3SGV-2BJ_target.pdbqt | data/3S/3SGV-2BJ/3SGV-2BJ_decoys.pdbqt | data/3S/3SGV-2BJ/3SGV-2BJ_decoy_scores.csv |
3S74-03T | data/3S/3S74-03T/3S74-03T_ligand.pdbqt | data/3S/3S74-03T/3S74-03T_target.pdbqt | data/3S/3S74-03T/3S74-03T_decoys.pdbqt | data/3S/3S74-03T/3S74-03T_decoy_scores.csv |
3SKA-053 | data/3S/3SKA-053/3SKA-053_ligand.pdbqt | data/3S/3SKA-053/3SKA-053_target.pdbqt | data/3S/3SKA-053/3SKA-053_decoys.pdbqt | data/3S/3SKA-053/3SKA-053_decoy_scores.csv |
3SDG-3SE | data/3S/3SDG-3SE/3SDG-3SE_ligand.pdbqt | data/3S/3SDG-3SE/3SDG-3SE_target.pdbqt | data/3S/3SDG-3SE/3SDG-3SE_decoys.pdbqt | data/3S/3SDG-3SE/3SDG-3SE_decoy_scores.csv |
3SR1-THP | data/3S/3SR1-THP/3SR1-THP_ligand.pdbqt | data/3S/3SR1-THP/3SR1-THP_target.pdbqt | data/3S/3SR1-THP/3SR1-THP_decoys.pdbqt | data/3S/3SR1-THP/3SR1-THP_decoy_scores.csv |
3S7A-684 | data/3S/3S7A-684/3S7A-684_ligand.pdbqt | data/3S/3S7A-684/3S7A-684_target.pdbqt | data/3S/3S7A-684/3S7A-684_decoys.pdbqt | data/3S/3S7A-684/3S7A-684_decoy_scores.csv |
3S0J-Z15 | data/3S/3S0J-Z15/3S0J-Z15_ligand.pdbqt | data/3S/3S0J-Z15/3S0J-Z15_target.pdbqt | data/3S/3S0J-Z15/3S0J-Z15_decoys.pdbqt | data/3S/3S0J-Z15/3S0J-Z15_decoy_scores.csv |
3SWG-EPZ | data/3S/3SWG-EPZ/3SWG-EPZ_ligand.pdbqt | data/3S/3SWG-EPZ/3SWG-EPZ_target.pdbqt | data/3S/3SWG-EPZ/3SWG-EPZ_decoys.pdbqt | data/3S/3SWG-EPZ/3SWG-EPZ_decoy_scores.csv |
3SSA-AES | data/3S/3SSA-AES/3SSA-AES_ligand.pdbqt | data/3S/3SSA-AES/3SSA-AES_target.pdbqt | data/3S/3SSA-AES/3SSA-AES_decoys.pdbqt | data/3S/3SSA-AES/3SSA-AES_decoy_scores.csv |
3SNL-548 | data/3S/3SNL-548/3SNL-548_ligand.pdbqt | data/3S/3SNL-548/3SNL-548_target.pdbqt | data/3S/3SNL-548/3SNL-548_decoys.pdbqt | data/3S/3SNL-548/3SNL-548_decoy_scores.csv |
3SFX-3FX | data/3S/3SFX-3FX/3SFX-3FX_ligand.pdbqt | data/3S/3SFX-3FX/3SFX-3FX_target.pdbqt | data/3S/3SFX-3FX/3SFX-3FX_decoys.pdbqt | data/3S/3SFX-3FX/3SFX-3FX_decoy_scores.csv |
3S6T-OAN | data/3S/3S6T-OAN/3S6T-OAN_ligand.pdbqt | data/3S/3S6T-OAN/3S6T-OAN_target.pdbqt | data/3S/3S6T-OAN/3S6T-OAN_decoys.pdbqt | data/3S/3S6T-OAN/3S6T-OAN_decoy_scores.csv |
3S9Y-P6G | data/3S/3S9Y-P6G/3S9Y-P6G_ligand.pdbqt | data/3S/3S9Y-P6G/3S9Y-P6G_target.pdbqt | data/3S/3S9Y-P6G/3S9Y-P6G_decoys.pdbqt | data/3S/3S9Y-P6G/3S9Y-P6G_decoy_scores.csv |
3SXE-UDP | data/3S/3SXE-UDP/3SXE-UDP_ligand.pdbqt | data/3S/3SXE-UDP/3SXE-UDP_target.pdbqt | data/3S/3SXE-UDP/3SXE-UDP_decoys.pdbqt | data/3S/3SXE-UDP/3SXE-UDP_decoy_scores.csv |
3SGU-5FU | data/3S/3SGU-5FU/3SGU-5FU_ligand.pdbqt | data/3S/3SGU-5FU/3SGU-5FU_target.pdbqt | data/3S/3SGU-5FU/3SGU-5FU_decoys.pdbqt | data/3S/3SGU-5FU/3SGU-5FU_decoy_scores.csv |
3S0D-CTV | data/3S/3S0D-CTV/3S0D-CTV_ligand.pdbqt | data/3S/3S0D-CTV/3S0D-CTV_target.pdbqt | data/3S/3S0D-CTV/3S0D-CTV_decoys.pdbqt | data/3S/3S0D-CTV/3S0D-CTV_decoy_scores.csv |
3STX-BKA | data/3S/3STX-BKA/3STX-BKA_ligand.pdbqt | data/3S/3STX-BKA/3STX-BKA_target.pdbqt | data/3S/3STX-BKA/3STX-BKA_decoys.pdbqt | data/3S/3STX-BKA/3STX-BKA_decoy_scores.csv |
3S7P-LBV | data/3S/3S7P-LBV/3S7P-LBV_ligand.pdbqt | data/3S/3S7P-LBV/3S7P-LBV_target.pdbqt | data/3S/3S7P-LBV/3S7P-LBV_decoys.pdbqt | data/3S/3S7P-LBV/3S7P-LBV_decoy_scores.csv |
3S2J-L3A | data/3S/3S2J-L3A/3S2J-L3A_ligand.pdbqt | data/3S/3S2J-L3A/3S2J-L3A_target.pdbqt | data/3S/3S2J-L3A/3S2J-L3A_decoys.pdbqt | data/3S/3S2J-L3A/3S2J-L3A_decoy_scores.csv |
3SXJ-SAM | data/3S/3SXJ-SAM/3SXJ-SAM_ligand.pdbqt | data/3S/3SXJ-SAM/3SXJ-SAM_target.pdbqt | data/3S/3SXJ-SAM/3SXJ-SAM_decoys.pdbqt | data/3S/3SXJ-SAM/3SXJ-SAM_decoy_scores.csv |
3S3T-ATP | data/3S/3S3T-ATP/3S3T-ATP_ligand.pdbqt | data/3S/3S3T-ATP/3S3T-ATP_target.pdbqt | data/3S/3S3T-ATP/3S3T-ATP_decoys.pdbqt | data/3S/3S3T-ATP/3S3T-ATP_decoy_scores.csv |
3SX7-GAL | data/3S/3SX7-GAL/3SX7-GAL_ligand.pdbqt | data/3S/3SX7-GAL/3SX7-GAL_target.pdbqt | data/3S/3SX7-GAL/3SX7-GAL_decoys.pdbqt | data/3S/3SX7-GAL/3SX7-GAL_decoy_scores.csv |
3SA2-7DR | data/3S/3SA2-7DR/3SA2-7DR_ligand.pdbqt | data/3S/3SA2-7DR/3SA2-7DR_target.pdbqt | data/3S/3SA2-7DR/3SA2-7DR_decoys.pdbqt | data/3S/3SA2-7DR/3SA2-7DR_decoy_scores.csv |
3SXG-GAL | data/3S/3SXG-GAL/3SXG-GAL_ligand.pdbqt | data/3S/3SXG-GAL/3SXG-GAL_target.pdbqt | data/3S/3SXG-GAL/3SXG-GAL_decoys.pdbqt | data/3S/3SXG-GAL/3SXG-GAL_decoy_scores.csv |
3S1X-I22 | data/3S/3S1X-I22/3S1X-I22_ligand.pdbqt | data/3S/3S1X-I22/3S1X-I22_target.pdbqt | data/3S/3S1X-I22/3S1X-I22_decoys.pdbqt | data/3S/3S1X-I22/3S1X-I22_decoy_scores.csv |
3S6A-ANP | data/3S/3S6A-ANP/3S6A-ANP_ligand.pdbqt | data/3S/3S6A-ANP/3S6A-ANP_target.pdbqt | data/3S/3S6A-ANP/3S6A-ANP_decoys.pdbqt | data/3S/3S6A-ANP/3S6A-ANP_decoy_scores.csv |
3SFX-FII | data/3S/3SFX-FII/3SFX-FII_ligand.pdbqt | data/3S/3SFX-FII/3SFX-FII_target.pdbqt | data/3S/3SFX-FII/3SFX-FII_decoys.pdbqt | data/3S/3SFX-FII/3SFX-FII_decoy_scores.csv |
3S54-017 | data/3S/3S54-017/3S54-017_ligand.pdbqt | data/3S/3S54-017/3S54-017_target.pdbqt | data/3S/3S54-017/3S54-017_decoys.pdbqt | data/3S/3S54-017/3S54-017_decoy_scores.csv |
3S73-EVF | data/3S/3S73-EVF/3S73-EVF_ligand.pdbqt | data/3S/3S73-EVF/3S73-EVF_target.pdbqt | data/3S/3S73-EVF/3S73-EVF_decoys.pdbqt | data/3S/3S73-EVF/3S73-EVF_decoy_scores.csv |
3SVH-KRG | data/3S/3SVH-KRG/3SVH-KRG_ligand.pdbqt | data/3S/3SVH-KRG/3SVH-KRG_target.pdbqt | data/3S/3SVH-KRG/3SVH-KRG_decoys.pdbqt | data/3S/3SVH-KRG/3SVH-KRG_decoy_scores.csv |
3SX3-UDP | data/3S/3SX3-UDP/3SX3-UDP_ligand.pdbqt | data/3S/3SX3-UDP/3SX3-UDP_target.pdbqt | data/3S/3SX3-UDP/3SX3-UDP_decoys.pdbqt | data/3S/3SX3-UDP/3SX3-UDP_decoy_scores.csv |
3SXR-1N1 | data/3S/3SXR-1N1/3SXR-1N1_ligand.pdbqt | data/3S/3SXR-1N1/3SXR-1N1_target.pdbqt | data/3S/3SXR-1N1/3SXR-1N1_decoys.pdbqt | data/3S/3SXR-1N1/3SXR-1N1_decoy_scores.csv |
3SQY-Q11 | data/3S/3SQY-Q11/3SQY-Q11_ligand.pdbqt | data/3S/3SQY-Q11/3SQY-Q11_target.pdbqt | data/3S/3SQY-Q11/3SQY-Q11_decoys.pdbqt | data/3S/3SQY-Q11/3SQY-Q11_decoy_scores.csv |
3STZ-MTN | data/3S/3STZ-MTN/3STZ-MTN_ligand.pdbqt | data/3S/3STZ-MTN/3STZ-MTN_target.pdbqt | data/3S/3STZ-MTN/3STZ-MTN_decoys.pdbqt | data/3S/3STZ-MTN/3STZ-MTN_decoy_scores.csv |
3S5W-ONH | data/3S/3S5W-ONH/3S5W-ONH_ligand.pdbqt | data/3S/3S5W-ONH/3S5W-ONH_target.pdbqt | data/3S/3S5W-ONH/3S5W-ONH_decoys.pdbqt | data/3S/3S5W-ONH/3S5W-ONH_decoy_scores.csv |
3SZJ-BTN | data/3S/3SZJ-BTN/3SZJ-BTN_ligand.pdbqt | data/3S/3SZJ-BTN/3SZJ-BTN_target.pdbqt | data/3S/3SZJ-BTN/3SZJ-BTN_decoys.pdbqt | data/3S/3SZJ-BTN/3SZJ-BTN_decoy_scores.csv |
3SI4-B04 | data/3S/3SI4-B04/3SI4-B04_ligand.pdbqt | data/3S/3SI4-B04/3SI4-B04_target.pdbqt | data/3S/3SI4-B04/3SI4-B04_decoys.pdbqt | data/3S/3SI4-B04/3SI4-B04_decoy_scores.csv |
3S1G-ITE | data/3S/3S1G-ITE/3S1G-ITE_ligand.pdbqt | data/3S/3S1G-ITE/3S1G-ITE_target.pdbqt | data/3S/3S1G-ITE/3S1G-ITE_decoys.pdbqt | data/3S/3S1G-ITE/3S1G-ITE_decoy_scores.csv |
3SHZ-5CO | data/3S/3SHZ-5CO/3SHZ-5CO_ligand.pdbqt | data/3S/3SHZ-5CO/3SHZ-5CO_target.pdbqt | data/3S/3SHZ-5CO/3SHZ-5CO_decoys.pdbqt | data/3S/3SHZ-5CO/3SHZ-5CO_decoy_scores.csv |
3SR6-MTE | data/3S/3SR6-MTE/3SR6-MTE_ligand.pdbqt | data/3S/3SR6-MTE/3SR6-MTE_target.pdbqt | null | null |
3SDV-911 | data/3S/3SDV-911/3SDV-911_ligand.pdbqt | data/3S/3SDV-911/3SDV-911_target.pdbqt | data/3S/3SDV-911/3SDV-911_decoys.pdbqt | data/3S/3SDV-911/3SDV-911_decoy_scores.csv |
3S0O-50Z | data/3S/3S0O-50Z/3S0O-50Z_ligand.pdbqt | data/3S/3S0O-50Z/3S0O-50Z_target.pdbqt | data/3S/3S0O-50Z/3S0O-50Z_decoys.pdbqt | data/3S/3S0O-50Z/3S0O-50Z_decoy_scores.csv |
3SBI-BCN | data/3S/3SBI-BCN/3SBI-BCN_ligand.pdbqt | data/3S/3SBI-BCN/3SBI-BCN_target.pdbqt | data/3S/3SBI-BCN/3SBI-BCN_decoys.pdbqt | data/3S/3SBI-BCN/3SBI-BCN_decoy_scores.csv |
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