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 ⌀ |
|---|---|---|---|---|
3M0J-OAF | data/3M/3M0J-OAF/3M0J-OAF_ligand.pdbqt | data/3M/3M0J-OAF/3M0J-OAF_target.pdbqt | data/3M/3M0J-OAF/3M0J-OAF_decoys.pdbqt | data/3M/3M0J-OAF/3M0J-OAF_decoy_scores.csv |
3MIN-HCA | data/3M/3MIN-HCA/3MIN-HCA_ligand.pdbqt | data/3M/3MIN-HCA/3MIN-HCA_target.pdbqt | null | null |
3M00-2CF | data/3M/3M00-2CF/3M00-2CF_ligand.pdbqt | data/3M/3M00-2CF/3M00-2CF_target.pdbqt | data/3M/3M00-2CF/3M00-2CF_decoys.pdbqt | data/3M/3M00-2CF/3M00-2CF_decoy_scores.csv |
3M0H-RNS | data/3M/3M0H-RNS/3M0H-RNS_ligand.pdbqt | data/3M/3M0H-RNS/3M0H-RNS_target.pdbqt | data/3M/3M0H-RNS/3M0H-RNS_decoys.pdbqt | data/3M/3M0H-RNS/3M0H-RNS_decoy_scores.csv |
2PKK-2FA | data/2P/2PKK-2FA/2PKK-2FA_ligand.pdbqt | data/2P/2PKK-2FA/2PKK-2FA_target.pdbqt | data/2P/2PKK-2FA/2PKK-2FA_decoys.pdbqt | data/2P/2PKK-2FA/2PKK-2FA_decoy_scores.csv |
2PW3-CMP | data/2P/2PW3-CMP/2PW3-CMP_ligand.pdbqt | data/2P/2PW3-CMP/2PW3-CMP_target.pdbqt | data/2P/2PW3-CMP/2PW3-CMP_decoys.pdbqt | data/2P/2PW3-CMP/2PW3-CMP_decoy_scores.csv |
2PFG-DDD | data/2P/2PFG-DDD/2PFG-DDD_ligand.pdbqt | data/2P/2PFG-DDD/2PFG-DDD_target.pdbqt | data/2P/2PFG-DDD/2PFG-DDD_decoys.pdbqt | data/2P/2PFG-DDD/2PFG-DDD_decoy_scores.csv |
2PDM-ZST | data/2P/2PDM-ZST/2PDM-ZST_ligand.pdbqt | data/2P/2PDM-ZST/2PDM-ZST_target.pdbqt | data/2P/2PDM-ZST/2PDM-ZST_decoys.pdbqt | data/2P/2PDM-ZST/2PDM-ZST_decoy_scores.csv |
2PDG-47D | data/2P/2PDG-47D/2PDG-47D_ligand.pdbqt | data/2P/2PDG-47D/2PDG-47D_target.pdbqt | data/2P/2PDG-47D/2PDG-47D_decoys.pdbqt | data/2P/2PDG-47D/2PDG-47D_decoy_scores.csv |
2PZE-ATP | data/2P/2PZE-ATP/2PZE-ATP_ligand.pdbqt | data/2P/2PZE-ATP/2PZE-ATP_target.pdbqt | data/2P/2PZE-ATP/2PZE-ATP_decoys.pdbqt | data/2P/2PZE-ATP/2PZE-ATP_decoy_scores.csv |
2PDQ-47D | data/2P/2PDQ-47D/2PDQ-47D_ligand.pdbqt | data/2P/2PDQ-47D/2PDQ-47D_target.pdbqt | data/2P/2PDQ-47D/2PDQ-47D_decoys.pdbqt | data/2P/2PDQ-47D/2PDQ-47D_decoy_scores.csv |
2PDK-SBI | data/2P/2PDK-SBI/2PDK-SBI_ligand.pdbqt | data/2P/2PDK-SBI/2PDK-SBI_target.pdbqt | data/2P/2PDK-SBI/2PDK-SBI_decoys.pdbqt | data/2P/2PDK-SBI/2PDK-SBI_decoy_scores.csv |
2PY8-PE4 | data/2P/2PY8-PE4/2PY8-PE4_ligand.pdbqt | data/2P/2PY8-PE4/2PY8-PE4_target.pdbqt | data/2P/2PY8-PE4/2PY8-PE4_decoys.pdbqt | data/2P/2PY8-PE4/2PY8-PE4_decoy_scores.csv |
2PUU-G2G | data/2P/2PUU-G2G/2PUU-G2G_ligand.pdbqt | data/2P/2PUU-G2G/2PUU-G2G_target.pdbqt | data/2P/2PUU-G2G/2PUU-G2G_decoys.pdbqt | data/2P/2PUU-G2G/2PUU-G2G_decoy_scores.csv |
2PU8-CPS | data/2P/2PU8-CPS/2PU8-CPS_ligand.pdbqt | data/2P/2PU8-CPS/2PU8-CPS_target.pdbqt | data/2P/2PU8-CPS/2PU8-CPS_decoys.pdbqt | data/2P/2PU8-CPS/2PU8-CPS_decoy_scores.csv |
2POU-I7A | data/2P/2POU-I7A/2POU-I7A_ligand.pdbqt | data/2P/2POU-I7A/2POU-I7A_target.pdbqt | data/2P/2POU-I7A/2POU-I7A_decoys.pdbqt | data/2P/2POU-I7A/2POU-I7A_decoy_scores.csv |
2PDB-ZST | data/2P/2PDB-ZST/2PDB-ZST_ligand.pdbqt | data/2P/2PDB-ZST/2PDB-ZST_target.pdbqt | data/2P/2PDB-ZST/2PDB-ZST_decoys.pdbqt | data/2P/2PDB-ZST/2PDB-ZST_decoy_scores.csv |
2PC9-ATP | data/2P/2PC9-ATP/2PC9-ATP_ligand.pdbqt | data/2P/2PC9-ATP/2PC9-ATP_target.pdbqt | data/2P/2PC9-ATP/2PC9-ATP_decoys.pdbqt | data/2P/2PC9-ATP/2PC9-ATP_decoy_scores.csv |
2PRL-DDQ | data/2P/2PRL-DDQ/2PRL-DDQ_ligand.pdbqt | data/2P/2PRL-DDQ/2PRL-DDQ_target.pdbqt | data/2P/2PRL-DDQ/2PRL-DDQ_decoys.pdbqt | data/2P/2PRL-DDQ/2PRL-DDQ_decoy_scores.csv |
2PGR-DCF | data/2P/2PGR-DCF/2PGR-DCF_ligand.pdbqt | data/2P/2PGR-DCF/2PGR-DCF_target.pdbqt | data/2P/2PGR-DCF/2PGR-DCF_decoys.pdbqt | data/2P/2PGR-DCF/2PGR-DCF_decoy_scores.csv |
2P1Q-IHP | data/2P/2P1Q-IHP/2P1Q-IHP_ligand.pdbqt | data/2P/2P1Q-IHP/2P1Q-IHP_target.pdbqt | data/2P/2P1Q-IHP/2P1Q-IHP_decoys.pdbqt | data/2P/2P1Q-IHP/2P1Q-IHP_decoy_scores.csv |
2PB1-G2F | data/2P/2PB1-G2F/2PB1-G2F_ligand.pdbqt | data/2P/2PB1-G2F/2PB1-G2F_target.pdbqt | data/2P/2PB1-G2F/2PB1-G2F_decoys.pdbqt | data/2P/2PB1-G2F/2PB1-G2F_decoy_scores.csv |
2P3J-MNA | data/2P/2P3J-MNA/2P3J-MNA_ligand.pdbqt | data/2P/2P3J-MNA/2P3J-MNA_target.pdbqt | data/2P/2P3J-MNA/2P3J-MNA_decoys.pdbqt | data/2P/2P3J-MNA/2P3J-MNA_decoy_scores.csv |
2POW-I7C | data/2P/2POW-I7C/2POW-I7C_ligand.pdbqt | data/2P/2POW-I7C/2POW-I7C_target.pdbqt | data/2P/2POW-I7C/2POW-I7C_decoys.pdbqt | data/2P/2POW-I7C/2POW-I7C_decoy_scores.csv |
2PGQ-0G6 | data/2P/2PGQ-0G6/2PGQ-0G6_ligand.pdbqt | data/2P/2PGQ-0G6/2PGQ-0G6_target.pdbqt | data/2P/2PGQ-0G6/2PGQ-0G6_decoys.pdbqt | data/2P/2PGQ-0G6/2PGQ-0G6_decoy_scores.csv |
2PEZ-GGZ | data/2P/2PEZ-GGZ/2PEZ-GGZ_ligand.pdbqt | data/2P/2PEZ-GGZ/2PEZ-GGZ_target.pdbqt | data/2P/2PEZ-GGZ/2PEZ-GGZ_decoys.pdbqt | data/2P/2PEZ-GGZ/2PEZ-GGZ_decoy_scores.csv |
2PUJ-HPZ | data/2P/2PUJ-HPZ/2PUJ-HPZ_ligand.pdbqt | data/2P/2PUJ-HPZ/2PUJ-HPZ_target.pdbqt | data/2P/2PUJ-HPZ/2PUJ-HPZ_decoys.pdbqt | data/2P/2PUJ-HPZ/2PUJ-HPZ_decoy_scores.csv |
2PBD-ATP | data/2P/2PBD-ATP/2PBD-ATP_ligand.pdbqt | data/2P/2PBD-ATP/2PBD-ATP_target.pdbqt | data/2P/2PBD-ATP/2PBD-ATP_decoys.pdbqt | data/2P/2PBD-ATP/2PBD-ATP_decoy_scores.csv |
2P86-VS1 | data/2P/2P86-VS1/2P86-VS1_ligand.pdbqt | data/2P/2P86-VS1/2P86-VS1_target.pdbqt | data/2P/2P86-VS1/2P86-VS1_decoys.pdbqt | data/2P/2P86-VS1/2P86-VS1_decoy_scores.csv |
2PSV-MUV | data/2P/2PSV-MUV/2PSV-MUV_ligand.pdbqt | data/2P/2PSV-MUV/2PSV-MUV_target.pdbqt | data/2P/2PSV-MUV/2PSV-MUV_decoys.pdbqt | data/2P/2PSV-MUV/2PSV-MUV_decoy_scores.csv |
2PAE-TYD | data/2P/2PAE-TYD/2PAE-TYD_ligand.pdbqt | data/2P/2PAE-TYD/2PAE-TYD_target.pdbqt | data/2P/2PAE-TYD/2PAE-TYD_decoys.pdbqt | data/2P/2PAE-TYD/2PAE-TYD_decoy_scores.csv |
2PRL-R2C | data/2P/2PRL-R2C/2PRL-R2C_ligand.pdbqt | data/2P/2PRL-R2C/2PRL-R2C_target.pdbqt | data/2P/2PRL-R2C/2PRL-R2C_decoys.pdbqt | data/2P/2PRL-R2C/2PRL-R2C_decoy_scores.csv |
2P6K-SAH | data/2P/2P6K-SAH/2P6K-SAH_ligand.pdbqt | data/2P/2P6K-SAH/2P6K-SAH_target.pdbqt | data/2P/2P6K-SAH/2P6K-SAH_decoys.pdbqt | data/2P/2P6K-SAH/2P6K-SAH_decoy_scores.csv |
2P4S-DIH | data/2P/2P4S-DIH/2P4S-DIH_ligand.pdbqt | data/2P/2P4S-DIH/2P4S-DIH_target.pdbqt | data/2P/2P4S-DIH/2P4S-DIH_decoys.pdbqt | data/2P/2P4S-DIH/2P4S-DIH_decoy_scores.csv |
2PQD-GG9 | data/2P/2PQD-GG9/2PQD-GG9_ligand.pdbqt | data/2P/2PQD-GG9/2PQD-GG9_target.pdbqt | data/2P/2PQD-GG9/2PQD-GG9_decoys.pdbqt | data/2P/2PQD-GG9/2PQD-GG9_decoy_scores.csv |
2PEY-ADX | data/2P/2PEY-ADX/2PEY-ADX_ligand.pdbqt | data/2P/2PEY-ADX/2PEY-ADX_target.pdbqt | data/2P/2PEY-ADX/2PEY-ADX_decoys.pdbqt | data/2P/2PEY-ADX/2PEY-ADX_decoy_scores.csv |
2PXA-SAH | data/2P/2PXA-SAH/2PXA-SAH_ligand.pdbqt | data/2P/2PXA-SAH/2PXA-SAH_target.pdbqt | data/2P/2PXA-SAH/2PXA-SAH_decoys.pdbqt | data/2P/2PXA-SAH/2PXA-SAH_decoy_scores.csv |
2PZL-NAD | data/2P/2PZL-NAD/2PZL-NAD_ligand.pdbqt | data/2P/2PZL-NAD/2PZL-NAD_target.pdbqt | data/2P/2PZL-NAD/2PZL-NAD_decoys.pdbqt | data/2P/2PZL-NAD/2PZL-NAD_decoy_scores.csv |
2PV7-NAD | data/2P/2PV7-NAD/2PV7-NAD_ligand.pdbqt | data/2P/2PV7-NAD/2PV7-NAD_target.pdbqt | data/2P/2PV7-NAD/2PV7-NAD_decoys.pdbqt | data/2P/2PV7-NAD/2PV7-NAD_decoy_scores.csv |
2PJ6-059 | data/2P/2PJ6-059/2PJ6-059_ligand.pdbqt | data/2P/2PJ6-059/2PJ6-059_target.pdbqt | data/2P/2PJ6-059/2PJ6-059_decoys.pdbqt | data/2P/2PJ6-059/2PJ6-059_decoy_scores.csv |
2PNU-ENM | data/2P/2PNU-ENM/2PNU-ENM_ligand.pdbqt | data/2P/2PNU-ENM/2PNU-ENM_target.pdbqt | data/2P/2PNU-ENM/2PNU-ENM_decoys.pdbqt | data/2P/2PNU-ENM/2PNU-ENM_decoy_scores.csv |
2PEY-DAT | data/2P/2PEY-DAT/2PEY-DAT_ligand.pdbqt | data/2P/2PEY-DAT/2PEY-DAT_target.pdbqt | data/2P/2PEY-DAT/2PEY-DAT_decoys.pdbqt | data/2P/2PEY-DAT/2PEY-DAT_decoy_scores.csv |
2PZN-393 | data/2P/2PZN-393/2PZN-393_ligand.pdbqt | data/2P/2PZN-393/2PZN-393_target.pdbqt | data/2P/2PZN-393/2PZN-393_decoys.pdbqt | data/2P/2PZN-393/2PZN-393_decoy_scores.csv |
2PCP-1PC | data/2P/2PCP-1PC/2PCP-1PC_ligand.pdbqt | data/2P/2PCP-1PC/2PCP-1PC_target.pdbqt | data/2P/2PCP-1PC/2PCP-1PC_decoys.pdbqt | data/2P/2PCP-1PC/2PCP-1PC_decoy_scores.csv |
2PZM-UDP | data/2P/2PZM-UDP/2PZM-UDP_ligand.pdbqt | data/2P/2PZM-UDP/2PZM-UDP_target.pdbqt | data/2P/2PZM-UDP/2PZM-UDP_decoys.pdbqt | data/2P/2PZM-UDP/2PZM-UDP_decoy_scores.csv |
2PJ0-922 | data/2P/2PJ0-922/2PJ0-922_ligand.pdbqt | data/2P/2PJ0-922/2PJ0-922_target.pdbqt | data/2P/2PJ0-922/2PJ0-922_decoys.pdbqt | data/2P/2PJ0-922/2PJ0-922_decoy_scores.csv |
2PFC-PLM | data/2P/2PFC-PLM/2PFC-PLM_ligand.pdbqt | data/2P/2PFC-PLM/2PFC-PLM_target.pdbqt | data/2P/2PFC-PLM/2PFC-PLM_decoys.pdbqt | data/2P/2PFC-PLM/2PFC-PLM_decoy_scores.csv |
2PIR-DHT | data/2P/2PIR-DHT/2PIR-DHT_ligand.pdbqt | data/2P/2PIR-DHT/2PIR-DHT_target.pdbqt | data/2P/2PIR-DHT/2PIR-DHT_decoys.pdbqt | data/2P/2PIR-DHT/2PIR-DHT_decoy_scores.csv |
2PIV-DHT | data/2P/2PIV-DHT/2PIV-DHT_ligand.pdbqt | data/2P/2PIV-DHT/2PIV-DHT_target.pdbqt | data/2P/2PIV-DHT/2PIV-DHT_decoys.pdbqt | data/2P/2PIV-DHT/2PIV-DHT_decoy_scores.csv |
2PC2-PDC | data/2P/2PC2-PDC/2PC2-PDC_ligand.pdbqt | data/2P/2PC2-PDC/2PC2-PDC_target.pdbqt | null | null |
2PEV-LDT | data/2P/2PEV-LDT/2PEV-LDT_ligand.pdbqt | data/2P/2PEV-LDT/2PEV-LDT_target.pdbqt | data/2P/2PEV-LDT/2PEV-LDT_decoys.pdbqt | data/2P/2PEV-LDT/2PEV-LDT_decoy_scores.csv |
2P35-SAH | data/2P/2P35-SAH/2P35-SAH_ligand.pdbqt | data/2P/2P35-SAH/2P35-SAH_target.pdbqt | data/2P/2P35-SAH/2P35-SAH_decoys.pdbqt | data/2P/2P35-SAH/2P35-SAH_decoy_scores.csv |
2PDW-FID | data/2P/2PDW-FID/2PDW-FID_ligand.pdbqt | data/2P/2PDW-FID/2PDW-FID_target.pdbqt | data/2P/2PDW-FID/2PDW-FID_decoys.pdbqt | data/2P/2PDW-FID/2PDW-FID_decoy_scores.csv |
2PHY-HC4 | data/2P/2PHY-HC4/2PHY-HC4_ligand.pdbqt | data/2P/2PHY-HC4/2PHY-HC4_target.pdbqt | data/2P/2PHY-HC4/2PHY-HC4_decoys.pdbqt | data/2P/2PHY-HC4/2PHY-HC4_decoy_scores.csv |
2PYM-1UN | data/2P/2PYM-1UN/2PYM-1UN_ligand.pdbqt | data/2P/2PYM-1UN/2PYM-1UN_target.pdbqt | data/2P/2PYM-1UN/2PYM-1UN_decoys.pdbqt | data/2P/2PYM-1UN/2PYM-1UN_decoy_scores.csv |
2PWC-G3G | data/2P/2PWC-G3G/2PWC-G3G_ligand.pdbqt | data/2P/2PWC-G3G/2PWC-G3G_target.pdbqt | data/2P/2PWC-G3G/2PWC-G3G_decoys.pdbqt | data/2P/2PWC-G3G/2PWC-G3G_decoy_scores.csv |
2PK3-A2R | data/2P/2PK3-A2R/2PK3-A2R_ligand.pdbqt | data/2P/2PK3-A2R/2PK3-A2R_target.pdbqt | data/2P/2PK3-A2R/2PK3-A2R_decoys.pdbqt | data/2P/2PK3-A2R/2PK3-A2R_decoy_scores.csv |
2PB4-SAH | data/2P/2PB4-SAH/2PB4-SAH_ligand.pdbqt | data/2P/2PB4-SAH/2PB4-SAH_target.pdbqt | data/2P/2PB4-SAH/2PB4-SAH_decoys.pdbqt | data/2P/2PB4-SAH/2PB4-SAH_decoy_scores.csv |
2PJ9-281 | data/2P/2PJ9-281/2PJ9-281_ligand.pdbqt | data/2P/2PJ9-281/2PJ9-281_target.pdbqt | data/2P/2PJ9-281/2PJ9-281_decoys.pdbqt | data/2P/2PJ9-281/2PJ9-281_decoy_scores.csv |
2PJ8-17A | data/2P/2PJ8-17A/2PJ8-17A_ligand.pdbqt | data/2P/2PJ8-17A/2PJ8-17A_target.pdbqt | data/2P/2PJ8-17A/2PJ8-17A_decoys.pdbqt | data/2P/2PJ8-17A/2PJ8-17A_decoy_scores.csv |
2PDU-393 | data/2P/2PDU-393/2PDU-393_ligand.pdbqt | data/2P/2PDU-393/2PDU-393_target.pdbqt | data/2P/2PDU-393/2PDU-393_decoys.pdbqt | data/2P/2PDU-393/2PDU-393_decoy_scores.csv |
2PQZ-G0G | data/2P/2PQZ-G0G/2PQZ-G0G_ligand.pdbqt | data/2P/2PQZ-G0G/2PQZ-G0G_target.pdbqt | data/2P/2PQZ-G0G/2PQZ-G0G_decoys.pdbqt | data/2P/2PQZ-G0G/2PQZ-G0G_decoy_scores.csv |
2POV-I7B | data/2P/2POV-I7B/2POV-I7B_ligand.pdbqt | data/2P/2POV-I7B/2POV-I7B_target.pdbqt | data/2P/2POV-I7B/2POV-I7B_decoys.pdbqt | data/2P/2POV-I7B/2POV-I7B_decoy_scores.csv |
2PKA-BEN | data/2P/2PKA-BEN/2PKA-BEN_ligand.pdbqt | data/2P/2PKA-BEN/2PKA-BEN_target.pdbqt | data/2P/2PKA-BEN/2PKA-BEN_decoys.pdbqt | data/2P/2PKA-BEN/2PKA-BEN_decoy_scores.csv |
2P1T-3TN | data/2P/2P1T-3TN/2P1T-3TN_ligand.pdbqt | data/2P/2P1T-3TN/2P1T-3TN_target.pdbqt | data/2P/2P1T-3TN/2P1T-3TN_decoys.pdbqt | data/2P/2P1T-3TN/2P1T-3TN_decoy_scores.csv |
2PJ2-864 | data/2P/2PJ2-864/2PJ2-864_ligand.pdbqt | data/2P/2PJ2-864/2PJ2-864_target.pdbqt | data/2P/2PJ2-864/2PJ2-864_decoys.pdbqt | data/2P/2PJ2-864/2PJ2-864_decoy_scores.csv |
2P2J-PRX | data/2P/2P2J-PRX/2P2J-PRX_ligand.pdbqt | data/2P/2P2J-PRX/2P2J-PRX_target.pdbqt | data/2P/2P2J-PRX/2P2J-PRX_decoys.pdbqt | data/2P/2P2J-PRX/2P2J-PRX_decoy_scores.csv |
2P93-ME1 | data/2P/2P93-ME1/2P93-ME1_ligand.pdbqt | data/2P/2P93-ME1/2P93-ME1_target.pdbqt | data/2P/2P93-ME1/2P93-ME1_decoys.pdbqt | data/2P/2P93-ME1/2P93-ME1_decoy_scores.csv |
2PZG-ATP | data/2P/2PZG-ATP/2PZG-ATP_ligand.pdbqt | data/2P/2PZG-ATP/2PZG-ATP_target.pdbqt | data/2P/2PZG-ATP/2PZG-ATP_decoys.pdbqt | data/2P/2PZG-ATP/2PZG-ATP_decoy_scores.csv |
2P5M-ARG | data/2P/2P5M-ARG/2P5M-ARG_ligand.pdbqt | data/2P/2P5M-ARG/2P5M-ARG_target.pdbqt | data/2P/2P5M-ARG/2P5M-ARG_decoys.pdbqt | data/2P/2P5M-ARG/2P5M-ARG_decoy_scores.csv |
2P54-735 | data/2P/2P54-735/2P54-735_ligand.pdbqt | data/2P/2P54-735/2P54-735_target.pdbqt | data/2P/2P54-735/2P54-735_decoys.pdbqt | data/2P/2P54-735/2P54-735_decoy_scores.csv |
2PKN-ACP | data/2P/2PKN-ACP/2PKN-ACP_ligand.pdbqt | data/2P/2PKN-ACP/2PKN-ACP_target.pdbqt | data/2P/2PKN-ACP/2PKN-ACP_decoys.pdbqt | data/2P/2PKN-ACP/2PKN-ACP_decoy_scores.csv |
2PUV-M6R | data/2P/2PUV-M6R/2PUV-M6R_ligand.pdbqt | data/2P/2PUV-M6R/2PUV-M6R_target.pdbqt | data/2P/2PUV-M6R/2PUV-M6R_decoys.pdbqt | data/2P/2PUV-M6R/2PUV-M6R_decoy_scores.csv |
2PWL-ACP | data/2P/2PWL-ACP/2PWL-ACP_ligand.pdbqt | data/2P/2PWL-ACP/2PWL-ACP_target.pdbqt | data/2P/2PWL-ACP/2PWL-ACP_decoys.pdbqt | data/2P/2PWL-ACP/2PWL-ACP_decoy_scores.csv |
2P5S-GDP | data/2P/2P5S-GDP/2P5S-GDP_ligand.pdbqt | data/2P/2P5S-GDP/2P5S-GDP_target.pdbqt | data/2P/2P5S-GDP/2P5S-GDP_decoys.pdbqt | data/2P/2P5S-GDP/2P5S-GDP_decoy_scores.csv |
2P83-MR0 | data/2P/2P83-MR0/2P83-MR0_ligand.pdbqt | data/2P/2P83-MR0/2P83-MR0_target.pdbqt | data/2P/2P83-MR0/2P83-MR0_decoys.pdbqt | data/2P/2P83-MR0/2P83-MR0_decoy_scores.csv |
2PYY-GLU | data/2P/2PYY-GLU/2PYY-GLU_ligand.pdbqt | data/2P/2PYY-GLU/2PYY-GLU_target.pdbqt | data/2P/2PYY-GLU/2PYY-GLU_decoys.pdbqt | data/2P/2PYY-GLU/2PYY-GLU_decoy_scores.csv |
2PRC-LDA | data/2P/2PRC-LDA/2PRC-LDA_ligand.pdbqt | data/2P/2PRC-LDA/2PRC-LDA_target.pdbqt | data/2P/2PRC-LDA/2PRC-LDA_decoys.pdbqt | data/2P/2PRC-LDA/2PRC-LDA_decoy_scores.csv |
2PYD-GLC | data/2P/2PYD-GLC/2PYD-GLC_ligand.pdbqt | data/2P/2PYD-GLC/2PYD-GLC_target.pdbqt | data/2P/2PYD-GLC/2PYD-GLC_decoys.pdbqt | data/2P/2PYD-GLC/2PYD-GLC_decoy_scores.csv |
2PRC-MQ7 | data/2P/2PRC-MQ7/2PRC-MQ7_ligand.pdbqt | data/2P/2PRC-MQ7/2PRC-MQ7_target.pdbqt | data/2P/2PRC-MQ7/2PRC-MQ7_decoys.pdbqt | data/2P/2PRC-MQ7/2PRC-MQ7_decoy_scores.csv |
2P2V-CSF | data/2P/2P2V-CSF/2P2V-CSF_ligand.pdbqt | data/2P/2P2V-CSF/2P2V-CSF_target.pdbqt | data/2P/2P2V-CSF/2P2V-CSF_decoys.pdbqt | data/2P/2P2V-CSF/2P2V-CSF_decoy_scores.csv |
2PIZ-606 | data/2P/2PIZ-606/2PIZ-606_ligand.pdbqt | data/2P/2PIZ-606/2PIZ-606_target.pdbqt | data/2P/2PIZ-606/2PIZ-606_decoys.pdbqt | data/2P/2PIZ-606/2PIZ-606_decoy_scores.csv |
2PDN-47D | data/2P/2PDN-47D/2PDN-47D_ligand.pdbqt | data/2P/2PDN-47D/2PDN-47D_target.pdbqt | data/2P/2PDN-47D/2PDN-47D_decoys.pdbqt | data/2P/2PDN-47D/2PDN-47D_decoy_scores.csv |
2P8H-MY9 | data/2P/2P8H-MY9/2P8H-MY9_ligand.pdbqt | data/2P/2P8H-MY9/2P8H-MY9_target.pdbqt | data/2P/2P8H-MY9/2P8H-MY9_decoys.pdbqt | data/2P/2P8H-MY9/2P8H-MY9_decoy_scores.csv |
2P0M-RS7 | data/2P/2P0M-RS7/2P0M-RS7_ligand.pdbqt | data/2P/2P0M-RS7/2P0M-RS7_target.pdbqt | data/2P/2P0M-RS7/2P0M-RS7_decoys.pdbqt | data/2P/2P0M-RS7/2P0M-RS7_decoy_scores.csv |
2PD4-DCN | data/2P/2PD4-DCN/2PD4-DCN_ligand.pdbqt | data/2P/2PD4-DCN/2PD4-DCN_target.pdbqt | data/2P/2PD4-DCN/2PD4-DCN_decoys.pdbqt | data/2P/2PD4-DCN/2PD4-DCN_decoy_scores.csv |
2PWY-SAH | data/2P/2PWY-SAH/2PWY-SAH_ligand.pdbqt | data/2P/2PWY-SAH/2PWY-SAH_target.pdbqt | data/2P/2PWY-SAH/2PWY-SAH_decoys.pdbqt | data/2P/2PWY-SAH/2PWY-SAH_decoy_scores.csv |
2PVH-P19 | data/2P/2PVH-P19/2PVH-P19_ligand.pdbqt | data/2P/2PVH-P19/2PVH-P19_target.pdbqt | data/2P/2PVH-P19/2PVH-P19_decoys.pdbqt | data/2P/2PVH-P19/2PVH-P19_decoy_scores.csv |
2PQC-RC1 | data/2P/2PQC-RC1/2PQC-RC1_ligand.pdbqt | data/2P/2PQC-RC1/2PQC-RC1_target.pdbqt | data/2P/2PQC-RC1/2PQC-RC1_decoys.pdbqt | data/2P/2PQC-RC1/2PQC-RC1_decoy_scores.csv |
2P0E-TIZ | data/2P/2P0E-TIZ/2P0E-TIZ_ligand.pdbqt | data/2P/2P0E-TIZ/2P0E-TIZ_target.pdbqt | data/2P/2P0E-TIZ/2P0E-TIZ_decoys.pdbqt | data/2P/2P0E-TIZ/2P0E-TIZ_decoy_scores.csv |
2P8N-ADE | data/2P/2P8N-ADE/2P8N-ADE_ligand.pdbqt | data/2P/2P8N-ADE/2P8N-ADE_target.pdbqt | data/2P/2P8N-ADE/2P8N-ADE_decoys.pdbqt | data/2P/2P8N-ADE/2P8N-ADE_decoy_scores.csv |
2P5Y-NAD | data/2P/2P5Y-NAD/2P5Y-NAD_ligand.pdbqt | data/2P/2P5Y-NAD/2P5Y-NAD_target.pdbqt | data/2P/2P5Y-NAD/2P5Y-NAD_decoys.pdbqt | data/2P/2P5Y-NAD/2P5Y-NAD_decoy_scores.csv |
2PX8-MGT | data/2P/2PX8-MGT/2PX8-MGT_ligand.pdbqt | data/2P/2PX8-MGT/2PX8-MGT_target.pdbqt | data/2P/2PX8-MGT/2PX8-MGT_decoys.pdbqt | data/2P/2PX8-MGT/2PX8-MGT_decoy_scores.csv |
2P2W-FLC | data/2P/2P2W-FLC/2P2W-FLC_ligand.pdbqt | data/2P/2P2W-FLC/2P2W-FLC_target.pdbqt | data/2P/2P2W-FLC/2P2W-FLC_decoys.pdbqt | data/2P/2P2W-FLC/2P2W-FLC_decoy_scores.csv |
2P6I-SAH | data/2P/2P6I-SAH/2P6I-SAH_ligand.pdbqt | data/2P/2P6I-SAH/2P6I-SAH_target.pdbqt | data/2P/2P6I-SAH/2P6I-SAH_decoys.pdbqt | data/2P/2P6I-SAH/2P6I-SAH_decoy_scores.csv |
2PVM-P29 | data/2P/2PVM-P29/2PVM-P29_ligand.pdbqt | data/2P/2PVM-P29/2PVM-P29_target.pdbqt | data/2P/2PVM-P29/2PVM-P29_decoys.pdbqt | data/2P/2PVM-P29/2PVM-P29_decoy_scores.csv |
2POK-BGC | data/2P/2POK-BGC/2POK-BGC_ligand.pdbqt | data/2P/2POK-BGC/2POK-BGC_target.pdbqt | data/2P/2POK-BGC/2POK-BGC_decoys.pdbqt | data/2P/2POK-BGC/2POK-BGC_decoy_scores.csv |
2P6D-SAH | data/2P/2P6D-SAH/2P6D-SAH_ligand.pdbqt | data/2P/2P6D-SAH/2P6D-SAH_target.pdbqt | data/2P/2P6D-SAH/2P6D-SAH_decoys.pdbqt | data/2P/2P6D-SAH/2P6D-SAH_decoy_scores.csv |
2PAK-TYD | data/2P/2PAK-TYD/2PAK-TYD_ligand.pdbqt | data/2P/2PAK-TYD/2PAK-TYD_target.pdbqt | data/2P/2PAK-TYD/2PAK-TYD_decoys.pdbqt | data/2P/2PAK-TYD/2PAK-TYD_decoy_scores.csv |
2PJ1-578 | data/2P/2PJ1-578/2PJ1-578_ligand.pdbqt | data/2P/2PJ1-578/2PJ1-578_target.pdbqt | data/2P/2PJ1-578/2PJ1-578_decoys.pdbqt | data/2P/2PJ1-578/2PJ1-578_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.