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 ⌀ |
|---|---|---|---|---|
3ILZ-B72 | data/3I/3ILZ-B72/3ILZ-B72_ligand.pdbqt | data/3I/3ILZ-B72/3ILZ-B72_target.pdbqt | null | null |
3I1U-BTW | data/3I/3I1U-BTW/3I1U-BTW_ligand.pdbqt | data/3I/3I1U-BTW/3I1U-BTW_target.pdbqt | data/3I/3I1U-BTW/3I1U-BTW_decoys.pdbqt | data/3I/3I1U-BTW/3I1U-BTW_decoy_scores.csv |
3I2G-DBC | data/3I/3I2G-DBC/3I2G-DBC_ligand.pdbqt | data/3I/3I2G-DBC/3I2G-DBC_target.pdbqt | data/3I/3I2G-DBC/3I2G-DBC_decoys.pdbqt | data/3I/3I2G-DBC/3I2G-DBC_decoy_scores.csv |
3IK1-20C | data/3I/3IK1-20C/3IK1-20C_ligand.pdbqt | data/3I/3IK1-20C/3IK1-20C_target.pdbqt | data/3I/3IK1-20C/3IK1-20C_decoys.pdbqt | data/3I/3IK1-20C/3IK1-20C_decoy_scores.csv |
3IW6-PP0 | data/3I/3IW6-PP0/3IW6-PP0_ligand.pdbqt | data/3I/3IW6-PP0/3IW6-PP0_target.pdbqt | data/3I/3IW6-PP0/3IW6-PP0_decoys.pdbqt | data/3I/3IW6-PP0/3IW6-PP0_decoy_scores.csv |
3IGG-EFQ | data/3I/3IGG-EFQ/3IGG-EFQ_ligand.pdbqt | data/3I/3IGG-EFQ/3IGG-EFQ_target.pdbqt | data/3I/3IGG-EFQ/3IGG-EFQ_decoys.pdbqt | data/3I/3IGG-EFQ/3IGG-EFQ_decoy_scores.csv |
3IES-M24 | data/3I/3IES-M24/3IES-M24_ligand.pdbqt | data/3I/3IES-M24/3IES-M24_target.pdbqt | data/3I/3IES-M24/3IES-M24_decoys.pdbqt | data/3I/3IES-M24/3IES-M24_decoy_scores.csv |
3ISJ-A8D | data/3I/3ISJ-A8D/3ISJ-A8D_ligand.pdbqt | data/3I/3ISJ-A8D/3ISJ-A8D_target.pdbqt | data/3I/3ISJ-A8D/3ISJ-A8D_decoys.pdbqt | data/3I/3ISJ-A8D/3ISJ-A8D_decoy_scores.csv |
3IKG-J8Z | data/3I/3IKG-J8Z/3IKG-J8Z_ligand.pdbqt | data/3I/3IKG-J8Z/3IKG-J8Z_target.pdbqt | data/3I/3IKG-J8Z/3IKG-J8Z_decoys.pdbqt | data/3I/3IKG-J8Z/3IKG-J8Z_decoy_scores.csv |
3IGN-C2E | data/3I/3IGN-C2E/3IGN-C2E_ligand.pdbqt | data/3I/3IGN-C2E/3IGN-C2E_target.pdbqt | data/3I/3IGN-C2E/3IGN-C2E_decoys.pdbqt | data/3I/3IGN-C2E/3IGN-C2E_decoy_scores.csv |
3IN6-FMN | data/3I/3IN6-FMN/3IN6-FMN_ligand.pdbqt | data/3I/3IN6-FMN/3IN6-FMN_target.pdbqt | data/3I/3IN6-FMN/3IN6-FMN_decoys.pdbqt | data/3I/3IN6-FMN/3IN6-FMN_decoy_scores.csv |
3I59-N6R | data/3I/3I59-N6R/3I59-N6R_ligand.pdbqt | data/3I/3I59-N6R/3I59-N6R_target.pdbqt | data/3I/3I59-N6R/3I59-N6R_decoys.pdbqt | data/3I/3I59-N6R/3I59-N6R_decoy_scores.csv |
3I7B-BK1 | data/3I/3I7B-BK1/3I7B-BK1_ligand.pdbqt | data/3I/3I7B-BK1/3I7B-BK1_target.pdbqt | data/3I/3I7B-BK1/3I7B-BK1_decoys.pdbqt | data/3I/3I7B-BK1/3I7B-BK1_decoy_scores.csv |
3I8U-18B | data/3I/3I8U-18B/3I8U-18B_ligand.pdbqt | data/3I/3I8U-18B/3I8U-18B_target.pdbqt | data/3I/3I8U-18B/3I8U-18B_decoys.pdbqt | data/3I/3I8U-18B/3I8U-18B_decoy_scores.csv |
3IQA-DRW | data/3I/3IQA-DRW/3IQA-DRW_ligand.pdbqt | data/3I/3IQA-DRW/3IQA-DRW_target.pdbqt | data/3I/3IQA-DRW/3IQA-DRW_decoys.pdbqt | data/3I/3IQA-DRW/3IQA-DRW_decoy_scores.csv |
3IXH-CEF | data/3I/3IXH-CEF/3IXH-CEF_ligand.pdbqt | data/3I/3IXH-CEF/3IXH-CEF_target.pdbqt | data/3I/3IXH-CEF/3IXH-CEF_decoys.pdbqt | data/3I/3IXH-CEF/3IXH-CEF_decoy_scores.csv |
3IVI-2LI | data/3I/3IVI-2LI/3IVI-2LI_ligand.pdbqt | data/3I/3IVI-2LI/3IVI-2LI_target.pdbqt | data/3I/3IVI-2LI/3IVI-2LI_decoys.pdbqt | data/3I/3IVI-2LI/3IVI-2LI_decoy_scores.csv |
3IKB-FLC | data/3I/3IKB-FLC/3IKB-FLC_ligand.pdbqt | data/3I/3IKB-FLC/3IKB-FLC_target.pdbqt | data/3I/3IKB-FLC/3IKB-FLC_decoys.pdbqt | data/3I/3IKB-FLC/3IKB-FLC_decoy_scores.csv |
3IMX-GLC | data/3I/3IMX-GLC/3IMX-GLC_ligand.pdbqt | data/3I/3IMX-GLC/3IMX-GLC_target.pdbqt | data/3I/3IMX-GLC/3IMX-GLC_decoys.pdbqt | data/3I/3IMX-GLC/3IMX-GLC_decoy_scores.csv |
3IX4-TX1 | data/3I/3IX4-TX1/3IX4-TX1_ligand.pdbqt | data/3I/3IX4-TX1/3IX4-TX1_target.pdbqt | data/3I/3IX4-TX1/3IX4-TX1_decoys.pdbqt | data/3I/3IX4-TX1/3IX4-TX1_decoy_scores.csv |
3IW8-HIZ | data/3I/3IW8-HIZ/3IW8-HIZ_ligand.pdbqt | data/3I/3IW8-HIZ/3IW8-HIZ_target.pdbqt | data/3I/3IW8-HIZ/3IW8-HIZ_decoys.pdbqt | data/3I/3IW8-HIZ/3IW8-HIZ_decoy_scores.csv |
3IIF-APR | data/3I/3IIF-APR/3IIF-APR_ligand.pdbqt | data/3I/3IIF-APR/3IIF-APR_target.pdbqt | data/3I/3IIF-APR/3IIF-APR_decoys.pdbqt | data/3I/3IIF-APR/3IIF-APR_decoy_scores.csv |
3IAR-3D1 | data/3I/3IAR-3D1/3IAR-3D1_ligand.pdbqt | data/3I/3IAR-3D1/3IAR-3D1_target.pdbqt | data/3I/3IAR-3D1/3IAR-3D1_decoys.pdbqt | data/3I/3IAR-3D1/3IAR-3D1_decoy_scores.csv |
3IPX-ADP | data/3I/3IPX-ADP/3IPX-ADP_ligand.pdbqt | data/3I/3IPX-ADP/3IPX-ADP_target.pdbqt | data/3I/3IPX-ADP/3IPX-ADP_decoys.pdbqt | data/3I/3IPX-ADP/3IPX-ADP_decoy_scores.csv |
3ICV-BTB | data/3I/3ICV-BTB/3ICV-BTB_ligand.pdbqt | data/3I/3ICV-BTB/3ICV-BTB_target.pdbqt | data/3I/3ICV-BTB/3ICV-BTB_decoys.pdbqt | data/3I/3ICV-BTB/3ICV-BTB_decoy_scores.csv |
3IPS-O90 | data/3I/3IPS-O90/3IPS-O90_ligand.pdbqt | data/3I/3IPS-O90/3IPS-O90_target.pdbqt | data/3I/3IPS-O90/3IPS-O90_decoys.pdbqt | data/3I/3IPS-O90/3IPS-O90_decoy_scores.csv |
3IOJ-UDP | data/3I/3IOJ-UDP/3IOJ-UDP_ligand.pdbqt | data/3I/3IOJ-UDP/3IOJ-UDP_target.pdbqt | data/3I/3IOJ-UDP/3IOJ-UDP_decoys.pdbqt | data/3I/3IOJ-UDP/3IOJ-UDP_decoy_scores.csv |
3IL6-B83 | data/3I/3IL6-B83/3IL6-B83_ligand.pdbqt | data/3I/3IL6-B83/3IL6-B83_target.pdbqt | data/3I/3IL6-B83/3IL6-B83_decoys.pdbqt | data/3I/3IL6-B83/3IL6-B83_decoy_scores.csv |
3IX9-MTX | data/3I/3IX9-MTX/3IX9-MTX_ligand.pdbqt | data/3I/3IX9-MTX/3IX9-MTX_target.pdbqt | data/3I/3IX9-MTX/3IX9-MTX_decoys.pdbqt | data/3I/3IX9-MTX/3IX9-MTX_decoy_scores.csv |
3I8P-840 | data/3I/3I8P-840/3I8P-840_ligand.pdbqt | data/3I/3I8P-840/3I8P-840_target.pdbqt | data/3I/3I8P-840/3I8P-840_decoys.pdbqt | data/3I/3I8P-840/3I8P-840_decoy_scores.csv |
3IB9-BTN | data/3I/3IB9-BTN/3IB9-BTN_ligand.pdbqt | data/3I/3IB9-BTN/3IB9-BTN_target.pdbqt | data/3I/3IB9-BTN/3IB9-BTN_decoys.pdbqt | data/3I/3IB9-BTN/3IB9-BTN_decoy_scores.csv |
3IMD-FYQ | data/3I/3IMD-FYQ/3IMD-FYQ_ligand.pdbqt | data/3I/3IMD-FYQ/3IMD-FYQ_target.pdbqt | data/3I/3IMD-FYQ/3IMD-FYQ_decoys.pdbqt | data/3I/3IMD-FYQ/3IMD-FYQ_decoy_scores.csv |
3III-PLM | data/3I/3III-PLM/3III-PLM_ligand.pdbqt | data/3I/3III-PLM/3III-PLM_target.pdbqt | data/3I/3III-PLM/3III-PLM_decoys.pdbqt | data/3I/3III-PLM/3III-PLM_decoy_scores.csv |
3I7I-518 | data/3I/3I7I-518/3I7I-518_ligand.pdbqt | data/3I/3I7I-518/3I7I-518_target.pdbqt | data/3I/3I7I-518/3I7I-518_decoys.pdbqt | data/3I/3I7I-518/3I7I-518_decoy_scores.csv |
3IBD-CM5 | data/3I/3IBD-CM5/3IBD-CM5_ligand.pdbqt | data/3I/3IBD-CM5/3IBD-CM5_target.pdbqt | data/3I/3IBD-CM5/3IBD-CM5_decoys.pdbqt | data/3I/3IBD-CM5/3IBD-CM5_decoy_scores.csv |
3IGB-454 | data/3I/3IGB-454/3IGB-454_ligand.pdbqt | data/3I/3IGB-454/3IGB-454_target.pdbqt | data/3I/3IGB-454/3IGB-454_decoys.pdbqt | data/3I/3IGB-454/3IGB-454_decoy_scores.csv |
3IHB-GLU | data/3I/3IHB-GLU/3IHB-GLU_ligand.pdbqt | data/3I/3IHB-GLU/3IHB-GLU_target.pdbqt | data/3I/3IHB-GLU/3IHB-GLU_decoys.pdbqt | data/3I/3IHB-GLU/3IHB-GLU_decoy_scores.csv |
3INW-JZB | data/3I/3INW-JZB/3INW-JZB_ligand.pdbqt | data/3I/3INW-JZB/3INW-JZB_target.pdbqt | data/3I/3INW-JZB/3INW-JZB_decoys.pdbqt | data/3I/3INW-JZB/3INW-JZB_decoy_scores.csv |
3IMW-IW6 | data/3I/3IMW-IW6/3IMW-IW6_ligand.pdbqt | data/3I/3IMW-IW6/3IMW-IW6_target.pdbqt | data/3I/3IMW-IW6/3IMW-IW6_decoys.pdbqt | data/3I/3IMW-IW6/3IMW-IW6_decoy_scores.csv |
3IGS-16G | data/3I/3IGS-16G/3IGS-16G_ligand.pdbqt | data/3I/3IGS-16G/3IGS-16G_target.pdbqt | data/3I/3IGS-16G/3IGS-16G_decoys.pdbqt | data/3I/3IGS-16G/3IGS-16G_decoy_scores.csv |
3I53-SAH | data/3I/3I53-SAH/3I53-SAH_ligand.pdbqt | data/3I/3I53-SAH/3I53-SAH_target.pdbqt | data/3I/3I53-SAH/3I53-SAH_decoys.pdbqt | data/3I/3I53-SAH/3I53-SAH_decoy_scores.csv |
3IX8-TX3 | data/3I/3IX8-TX3/3IX8-TX3_ligand.pdbqt | data/3I/3IX8-TX3/3IX8-TX3_target.pdbqt | data/3I/3IX8-TX3/3IX8-TX3_decoys.pdbqt | data/3I/3IX8-TX3/3IX8-TX3_decoy_scores.csv |
3IU7-FCD | data/3I/3IU7-FCD/3IU7-FCD_ligand.pdbqt | data/3I/3IU7-FCD/3IU7-FCD_target.pdbqt | data/3I/3IU7-FCD/3IU7-FCD_decoys.pdbqt | data/3I/3IU7-FCD/3IU7-FCD_decoy_scores.csv |
3IGY-3PG | data/3I/3IGY-3PG/3IGY-3PG_ligand.pdbqt | data/3I/3IGY-3PG/3IGY-3PG_target.pdbqt | data/3I/3IGY-3PG/3IGY-3PG_decoys.pdbqt | data/3I/3IGY-3PG/3IGY-3PG_decoy_scores.csv |
3IJJ-AVR | data/3I/3IJJ-AVR/3IJJ-AVR_ligand.pdbqt | data/3I/3IJJ-AVR/3IJJ-AVR_target.pdbqt | data/3I/3IJJ-AVR/3IJJ-AVR_decoys.pdbqt | data/3I/3IJJ-AVR/3IJJ-AVR_decoy_scores.csv |
3IHT-SAM | data/3I/3IHT-SAM/3IHT-SAM_ligand.pdbqt | data/3I/3IHT-SAM/3IHT-SAM_target.pdbqt | data/3I/3IHT-SAM/3IHT-SAM_decoys.pdbqt | data/3I/3IHT-SAM/3IHT-SAM_decoy_scores.csv |
3IB7-BTB | data/3I/3IB7-BTB/3IB7-BTB_ligand.pdbqt | data/3I/3IB7-BTB/3IB7-BTB_target.pdbqt | data/3I/3IB7-BTB/3IB7-BTB_decoys.pdbqt | data/3I/3IB7-BTB/3IB7-BTB_decoy_scores.csv |
3I1F-GCP | data/3I/3I1F-GCP/3I1F-GCP_ligand.pdbqt | data/3I/3I1F-GCP/3I1F-GCP_target.pdbqt | data/3I/3I1F-GCP/3I1F-GCP_decoys.pdbqt | data/3I/3I1F-GCP/3I1F-GCP_decoy_scores.csv |
3IJD-C2F | data/3I/3IJD-C2F/3IJD-C2F_ligand.pdbqt | data/3I/3IJD-C2F/3IJD-C2F_target.pdbqt | data/3I/3IJD-C2F/3IJD-C2F_decoys.pdbqt | data/3I/3IJD-C2F/3IJD-C2F_decoy_scores.csv |
3IPQ-965 | data/3I/3IPQ-965/3IPQ-965_ligand.pdbqt | data/3I/3IPQ-965/3IPQ-965_target.pdbqt | data/3I/3IPQ-965/3IPQ-965_decoys.pdbqt | data/3I/3IPQ-965/3IPQ-965_decoy_scores.csv |
3ICM-P2H | data/3I/3ICM-P2H/3ICM-P2H_ligand.pdbqt | data/3I/3ICM-P2H/3ICM-P2H_target.pdbqt | data/3I/3ICM-P2H/3ICM-P2H_decoys.pdbqt | data/3I/3ICM-P2H/3ICM-P2H_decoy_scores.csv |
3IIJ-ADP | data/3I/3IIJ-ADP/3IIJ-ADP_ligand.pdbqt | data/3I/3IIJ-ADP/3IIJ-ADP_target.pdbqt | data/3I/3IIJ-ADP/3IIJ-ADP_decoys.pdbqt | data/3I/3IIJ-ADP/3IIJ-ADP_decoy_scores.csv |
3I12-ADP | data/3I/3I12-ADP/3I12-ADP_ligand.pdbqt | data/3I/3I12-ADP/3I12-ADP_target.pdbqt | data/3I/3I12-ADP/3I12-ADP_decoys.pdbqt | data/3I/3I12-ADP/3I12-ADP_decoy_scores.csv |
3IU9-T07 | data/3I/3IU9-T07/3IU9-T07_ligand.pdbqt | data/3I/3IU9-T07/3IU9-T07_target.pdbqt | data/3I/3IU9-T07/3IU9-T07_decoys.pdbqt | data/3I/3IU9-T07/3IU9-T07_decoy_scores.csv |
3IX2-AC2 | data/3I/3IX2-AC2/3IX2-AC2_ligand.pdbqt | data/3I/3IX2-AC2/3IX2-AC2_target.pdbqt | data/3I/3IX2-AC2/3IX2-AC2_decoys.pdbqt | data/3I/3IX2-AC2/3IX2-AC2_decoy_scores.csv |
3IK3-0LI | data/3I/3IK3-0LI/3IK3-0LI_ligand.pdbqt | data/3I/3IK3-0LI/3IK3-0LI_target.pdbqt | data/3I/3IK3-0LI/3IK3-0LI_decoys.pdbqt | data/3I/3IK3-0LI/3IK3-0LI_decoy_scores.csv |
3INH-569 | data/3I/3INH-569/3INH-569_ligand.pdbqt | data/3I/3INH-569/3INH-569_target.pdbqt | data/3I/3INH-569/3INH-569_decoys.pdbqt | data/3I/3INH-569/3INH-569_decoy_scores.csv |
3I03-PBP | data/3I/3I03-PBP/3I03-PBP_ligand.pdbqt | data/3I/3I03-PBP/3I03-PBP_target.pdbqt | data/3I/3I03-PBP/3I03-PBP_decoys.pdbqt | data/3I/3I03-PBP/3I03-PBP_decoy_scores.csv |
3IUY-AMP | data/3I/3IUY-AMP/3IUY-AMP_ligand.pdbqt | data/3I/3IUY-AMP/3IUY-AMP_target.pdbqt | data/3I/3IUY-AMP/3IUY-AMP_decoys.pdbqt | data/3I/3IUY-AMP/3IUY-AMP_decoy_scores.csv |
3I2F-DBC | data/3I/3I2F-DBC/3I2F-DBC_ligand.pdbqt | data/3I/3I2F-DBC/3I2F-DBC_target.pdbqt | data/3I/3I2F-DBC/3I2F-DBC_decoys.pdbqt | data/3I/3I2F-DBC/3I2F-DBC_decoy_scores.csv |
3IFA-AMP | data/3I/3IFA-AMP/3IFA-AMP_ligand.pdbqt | data/3I/3IFA-AMP/3IFA-AMP_target.pdbqt | data/3I/3IFA-AMP/3IFA-AMP_decoys.pdbqt | data/3I/3IFA-AMP/3IFA-AMP_decoy_scores.csv |
3I96-NHE | data/3I/3I96-NHE/3I96-NHE_ligand.pdbqt | data/3I/3I96-NHE/3I96-NHE_target.pdbqt | data/3I/3I96-NHE/3I96-NHE_decoys.pdbqt | data/3I/3I96-NHE/3I96-NHE_decoy_scores.csv |
3ID8-GLC | data/3I/3ID8-GLC/3ID8-GLC_ligand.pdbqt | data/3I/3ID8-GLC/3ID8-GLC_target.pdbqt | data/3I/3ID8-GLC/3ID8-GLC_decoys.pdbqt | data/3I/3ID8-GLC/3ID8-GLC_decoy_scores.csv |
3IIX-CPS | data/3I/3IIX-CPS/3IIX-CPS_ligand.pdbqt | data/3I/3IIX-CPS/3IIX-CPS_target.pdbqt | data/3I/3IIX-CPS/3IIX-CPS_decoys.pdbqt | data/3I/3IIX-CPS/3IIX-CPS_decoy_scores.csv |
3IWL-TCE | data/3I/3IWL-TCE/3IWL-TCE_ligand.pdbqt | data/3I/3IWL-TCE/3IWL-TCE_target.pdbqt | null | null |
3IEX-GMP | data/3I/3IEX-GMP/3IEX-GMP_ligand.pdbqt | data/3I/3IEX-GMP/3IEX-GMP_target.pdbqt | data/3I/3IEX-GMP/3IEX-GMP_decoys.pdbqt | data/3I/3IEX-GMP/3IEX-GMP_decoy_scores.csv |
3ILO-APC | data/3I/3ILO-APC/3ILO-APC_ligand.pdbqt | data/3I/3ILO-APC/3ILO-APC_target.pdbqt | data/3I/3ILO-APC/3ILO-APC_decoys.pdbqt | data/3I/3ILO-APC/3ILO-APC_decoy_scores.csv |
3I73-ADP | data/3I/3I73-ADP/3I73-ADP_ligand.pdbqt | data/3I/3I73-ADP/3I73-ADP_target.pdbqt | data/3I/3I73-ADP/3I73-ADP_decoys.pdbqt | data/3I/3I73-ADP/3I73-ADP_decoy_scores.csv |
3IOG-SDF | data/3I/3IOG-SDF/3IOG-SDF_ligand.pdbqt | data/3I/3IOG-SDF/3IOG-SDF_target.pdbqt | data/3I/3IOG-SDF/3IOG-SDF_decoys.pdbqt | data/3I/3IOG-SDF/3IOG-SDF_decoy_scores.csv |
3IDB-ANP | data/3I/3IDB-ANP/3IDB-ANP_ligand.pdbqt | data/3I/3IDB-ANP/3IDB-ANP_target.pdbqt | data/3I/3IDB-ANP/3IDB-ANP_decoys.pdbqt | data/3I/3IDB-ANP/3IDB-ANP_decoy_scores.csv |
3IE5-PE8 | data/3I/3IE5-PE8/3IE5-PE8_ligand.pdbqt | data/3I/3IE5-PE8/3IE5-PE8_target.pdbqt | data/3I/3IE5-PE8/3IE5-PE8_decoys.pdbqt | data/3I/3IE5-PE8/3IE5-PE8_decoy_scores.csv |
3IF1-NGA | data/3I/3IF1-NGA/3IF1-NGA_ligand.pdbqt | data/3I/3IF1-NGA/3IF1-NGA_target.pdbqt | data/3I/3IF1-NGA/3IF1-NGA_decoys.pdbqt | data/3I/3IF1-NGA/3IF1-NGA_decoy_scores.csv |
3IBI-BOW | data/3I/3IBI-BOW/3IBI-BOW_ligand.pdbqt | data/3I/3IBI-BOW/3IBI-BOW_target.pdbqt | data/3I/3IBI-BOW/3IBI-BOW_decoys.pdbqt | data/3I/3IBI-BOW/3IBI-BOW_decoy_scores.csv |
3ITO-PSV | data/3I/3ITO-PSV/3ITO-PSV_ligand.pdbqt | data/3I/3ITO-PSV/3ITO-PSV_target.pdbqt | data/3I/3ITO-PSV/3ITO-PSV_decoys.pdbqt | data/3I/3ITO-PSV/3ITO-PSV_decoy_scores.csv |
3IOK-1P6 | data/3I/3IOK-1P6/3IOK-1P6_ligand.pdbqt | data/3I/3IOK-1P6/3IOK-1P6_target.pdbqt | data/3I/3IOK-1P6/3IOK-1P6_decoys.pdbqt | data/3I/3IOK-1P6/3IOK-1P6_decoy_scores.csv |
3IK0-UMP | data/3I/3IK0-UMP/3IK0-UMP_ligand.pdbqt | data/3I/3IK0-UMP/3IK0-UMP_target.pdbqt | data/3I/3IK0-UMP/3IK0-UMP_decoys.pdbqt | data/3I/3IK0-UMP/3IK0-UMP_decoy_scores.csv |
3IK9-BOB | data/3I/3IK9-BOB/3IK9-BOB_ligand.pdbqt | data/3I/3IK9-BOB/3IK9-BOB_target.pdbqt | data/3I/3IK9-BOB/3IK9-BOB_decoys.pdbqt | data/3I/3IK9-BOB/3IK9-BOB_decoy_scores.csv |
3IEJ-599 | data/3I/3IEJ-599/3IEJ-599_ligand.pdbqt | data/3I/3IEJ-599/3IEJ-599_target.pdbqt | data/3I/3IEJ-599/3IEJ-599_decoys.pdbqt | data/3I/3IEJ-599/3IEJ-599_decoy_scores.csv |
3IDS-NAD | data/3I/3IDS-NAD/3IDS-NAD_ligand.pdbqt | data/3I/3IDS-NAD/3IDS-NAD_target.pdbqt | data/3I/3IDS-NAD/3IDS-NAD_decoys.pdbqt | data/3I/3IDS-NAD/3IDS-NAD_decoy_scores.csv |
3IJG-AVR | data/3I/3IJG-AVR/3IJG-AVR_ligand.pdbqt | data/3I/3IJG-AVR/3IJG-AVR_target.pdbqt | data/3I/3IJG-AVR/3IJG-AVR_decoys.pdbqt | data/3I/3IJG-AVR/3IJG-AVR_decoy_scores.csv |
3IOI-1GW | data/3I/3IOI-1GW/3IOI-1GW_ligand.pdbqt | data/3I/3IOI-1GW/3IOI-1GW_target.pdbqt | data/3I/3IOI-1GW/3IOI-1GW_decoys.pdbqt | data/3I/3IOI-1GW/3IOI-1GW_decoy_scores.csv |
3ICP-NAD | data/3I/3ICP-NAD/3ICP-NAD_ligand.pdbqt | data/3I/3ICP-NAD/3ICP-NAD_target.pdbqt | data/3I/3ICP-NAD/3ICP-NAD_decoys.pdbqt | data/3I/3ICP-NAD/3ICP-NAD_decoy_scores.csv |
3IK0-7C1 | data/3I/3IK0-7C1/3IK0-7C1_ligand.pdbqt | data/3I/3IK0-7C1/3IK0-7C1_target.pdbqt | data/3I/3IK0-7C1/3IK0-7C1_decoys.pdbqt | data/3I/3IK0-7C1/3IK0-7C1_decoy_scores.csv |
3I4D-LDA | data/3I/3I4D-LDA/3I4D-LDA_ligand.pdbqt | data/3I/3I4D-LDA/3I4D-LDA_target.pdbqt | data/3I/3I4D-LDA/3I4D-LDA_decoys.pdbqt | data/3I/3I4D-LDA/3I4D-LDA_decoy_scores.csv |
3IBU-O48 | data/3I/3IBU-O48/3IBU-O48_ligand.pdbqt | data/3I/3IBU-O48/3IBU-O48_target.pdbqt | data/3I/3IBU-O48/3IBU-O48_decoys.pdbqt | data/3I/3IBU-O48/3IBU-O48_decoy_scores.csv |
3I65-JZ8 | data/3I/3I65-JZ8/3I65-JZ8_ligand.pdbqt | data/3I/3I65-JZ8/3I65-JZ8_target.pdbqt | data/3I/3I65-JZ8/3I65-JZ8_decoys.pdbqt | data/3I/3I65-JZ8/3I65-JZ8_decoy_scores.csv |
3IQT-BTB | data/3I/3IQT-BTB/3IQT-BTB_ligand.pdbqt | data/3I/3IQT-BTB/3IQT-BTB_target.pdbqt | data/3I/3IQT-BTB/3IQT-BTB_decoys.pdbqt | data/3I/3IQT-BTB/3IQT-BTB_decoy_scores.csv |
3IMG-BZ3 | data/3I/3IMG-BZ3/3IMG-BZ3_ligand.pdbqt | data/3I/3IMG-BZ3/3IMG-BZ3_target.pdbqt | data/3I/3IMG-BZ3/3IMG-BZ3_decoys.pdbqt | data/3I/3IMG-BZ3/3IMG-BZ3_decoy_scores.csv |
3IJ8-B0D | data/3I/3IJ8-B0D/3IJ8-B0D_ligand.pdbqt | data/3I/3IJ8-B0D/3IJ8-B0D_target.pdbqt | data/3I/3IJ8-B0D/3IJ8-B0D_decoys.pdbqt | data/3I/3IJ8-B0D/3IJ8-B0D_decoy_scores.csv |
3IIU-PID | data/3I/3IIU-PID/3IIU-PID_ligand.pdbqt | data/3I/3IIU-PID/3IIU-PID_target.pdbqt | data/3I/3IIU-PID/3IIU-PID_decoys.pdbqt | data/3I/3IIU-PID/3IIU-PID_decoy_scores.csv |
3IOD-A6D | data/3I/3IOD-A6D/3IOD-A6D_ligand.pdbqt | data/3I/3IOD-A6D/3IOD-A6D_target.pdbqt | data/3I/3IOD-A6D/3IOD-A6D_decoys.pdbqt | data/3I/3IOD-A6D/3IOD-A6D_decoy_scores.csv |
3I3Y-RIB | data/3I/3I3Y-RIB/3I3Y-RIB_ligand.pdbqt | data/3I/3I3Y-RIB/3I3Y-RIB_target.pdbqt | data/3I/3I3Y-RIB/3I3Y-RIB_decoys.pdbqt | data/3I/3I3Y-RIB/3I3Y-RIB_decoy_scores.csv |
3IGO-ANP | data/3I/3IGO-ANP/3IGO-ANP_ligand.pdbqt | data/3I/3IGO-ANP/3IGO-ANP_target.pdbqt | data/3I/3IGO-ANP/3IGO-ANP_decoys.pdbqt | data/3I/3IGO-ANP/3IGO-ANP_decoy_scores.csv |
3I5Z-Z48 | data/3I/3I5Z-Z48/3I5Z-Z48_ligand.pdbqt | data/3I/3I5Z-Z48/3I5Z-Z48_target.pdbqt | data/3I/3I5Z-Z48/3I5Z-Z48_decoys.pdbqt | data/3I/3I5Z-Z48/3I5Z-Z48_decoy_scores.csv |
3IAL-PR8 | data/3I/3IAL-PR8/3IAL-PR8_ligand.pdbqt | data/3I/3IAL-PR8/3IAL-PR8_target.pdbqt | data/3I/3IAL-PR8/3IAL-PR8_decoys.pdbqt | data/3I/3IAL-PR8/3IAL-PR8_decoy_scores.csv |
3IJJ-EN1 | data/3I/3IJJ-EN1/3IJJ-EN1_ligand.pdbqt | data/3I/3IJJ-EN1/3IJJ-EN1_target.pdbqt | data/3I/3IJJ-EN1/3IJJ-EN1_decoys.pdbqt | data/3I/3IJJ-EN1/3IJJ-EN1_decoy_scores.csv |
3IVE-CTN | data/3I/3IVE-CTN/3IVE-CTN_ligand.pdbqt | data/3I/3IVE-CTN/3IVE-CTN_target.pdbqt | data/3I/3IVE-CTN/3IVE-CTN_decoys.pdbqt | data/3I/3IVE-CTN/3IVE-CTN_decoy_scores.csv |
3ITU-IBM | data/3I/3ITU-IBM/3ITU-IBM_ligand.pdbqt | data/3I/3ITU-IBM/3ITU-IBM_target.pdbqt | data/3I/3ITU-IBM/3ITU-IBM_decoys.pdbqt | data/3I/3ITU-IBM/3ITU-IBM_decoy_scores.csv |
3IRM-1CY | data/3I/3IRM-1CY/3IRM-1CY_ligand.pdbqt | data/3I/3IRM-1CY/3IRM-1CY_target.pdbqt | data/3I/3IRM-1CY/3IRM-1CY_decoys.pdbqt | data/3I/3IRM-1CY/3IRM-1CY_decoy_scores.csv |
3I9N-AVW | data/3I/3I9N-AVW/3I9N-AVW_ligand.pdbqt | data/3I/3I9N-AVW/3I9N-AVW_target.pdbqt | data/3I/3I9N-AVW/3I9N-AVW_decoys.pdbqt | data/3I/3I9N-AVW/3I9N-AVW_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.