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 ⌀ |
|---|---|---|---|---|
4PZZ-2XO | data/4P/4PZZ-2XO/4PZZ-2XO_ligand.pdbqt | data/4P/4PZZ-2XO/4PZZ-2XO_target.pdbqt | data/4P/4PZZ-2XO/4PZZ-2XO_decoys.pdbqt | data/4P/4PZZ-2XO/4PZZ-2XO_decoy_scores.csv |
4PP6-STL | data/4P/4PP6-STL/4PP6-STL_ligand.pdbqt | data/4P/4PP6-STL/4PP6-STL_target.pdbqt | data/4P/4PP6-STL/4PP6-STL_decoys.pdbqt | data/4P/4PP6-STL/4PP6-STL_decoy_scores.csv |
4PVX-YS1 | data/4P/4PVX-YS1/4PVX-YS1_ligand.pdbqt | data/4P/4PVX-YS1/4PVX-YS1_target.pdbqt | data/4P/4PVX-YS1/4PVX-YS1_decoys.pdbqt | data/4P/4PVX-YS1/4PVX-YS1_decoy_scores.csv |
4PIP-TRP | data/4P/4PIP-TRP/4PIP-TRP_ligand.pdbqt | data/4P/4PIP-TRP/4PIP-TRP_target.pdbqt | data/4P/4PIP-TRP/4PIP-TRP_decoys.pdbqt | data/4P/4PIP-TRP/4PIP-TRP_decoy_scores.csv |
4PLF-NAD | data/4P/4PLF-NAD/4PLF-NAD_ligand.pdbqt | data/4P/4PLF-NAD/4PLF-NAD_target.pdbqt | data/4P/4PLF-NAD/4PLF-NAD_decoys.pdbqt | data/4P/4PLF-NAD/4PLF-NAD_decoy_scores.csv |
4PFH-FUD | data/4P/4PFH-FUD/4PFH-FUD_ligand.pdbqt | data/4P/4PFH-FUD/4PFH-FUD_target.pdbqt | data/4P/4PFH-FUD/4PFH-FUD_decoys.pdbqt | data/4P/4PFH-FUD/4PFH-FUD_decoy_scores.csv |
4PCD-2Q2 | data/4P/4PCD-2Q2/4PCD-2Q2_ligand.pdbqt | data/4P/4PCD-2Q2/4PCD-2Q2_target.pdbqt | data/4P/4PCD-2Q2/4PCD-2Q2_decoys.pdbqt | data/4P/4PCD-2Q2/4PCD-2Q2_decoy_scores.csv |
4PJF-30W | data/4P/4PJF-30W/4PJF-30W_ligand.pdbqt | data/4P/4PJF-30W/4PJF-30W_target.pdbqt | data/4P/4PJF-30W/4PJF-30W_decoys.pdbqt | data/4P/4PJF-30W/4PJF-30W_decoy_scores.csv |
4PYA-2X3 | data/4P/4PYA-2X3/4PYA-2X3_ligand.pdbqt | data/4P/4PYA-2X3/4PYA-2X3_target.pdbqt | data/4P/4PYA-2X3/4PYA-2X3_decoys.pdbqt | data/4P/4PYA-2X3/4PYA-2X3_decoy_scores.csv |
4PTW-G2F | data/4P/4PTW-G2F/4PTW-G2F_ligand.pdbqt | data/4P/4PTW-G2F/4PTW-G2F_target.pdbqt | data/4P/4PTW-G2F/4PTW-G2F_decoys.pdbqt | data/4P/4PTW-G2F/4PTW-G2F_decoy_scores.csv |
4PJM-ADP | data/4P/4PJM-ADP/4PJM-ADP_ligand.pdbqt | data/4P/4PJM-ADP/4PJM-ADP_target.pdbqt | data/4P/4PJM-ADP/4PJM-ADP_decoys.pdbqt | data/4P/4PJM-ADP/4PJM-ADP_decoy_scores.csv |
4P8O-883 | data/4P/4P8O-883/4P8O-883_ligand.pdbqt | data/4P/4P8O-883/4P8O-883_target.pdbqt | data/4P/4P8O-883/4P8O-883_decoys.pdbqt | data/4P/4P8O-883/4P8O-883_decoy_scores.csv |
4PYN-SAH | data/4P/4PYN-SAH/4PYN-SAH_ligand.pdbqt | data/4P/4PYN-SAH/4PYN-SAH_target.pdbqt | data/4P/4PYN-SAH/4PYN-SAH_decoys.pdbqt | data/4P/4PYN-SAH/4PYN-SAH_decoy_scores.csv |
4PIV-2W4 | data/4P/4PIV-2W4/4PIV-2W4_ligand.pdbqt | data/4P/4PIV-2W4/4PIV-2W4_target.pdbqt | data/4P/4PIV-2W4/4PIV-2W4_decoys.pdbqt | data/4P/4PIV-2W4/4PIV-2W4_decoy_scores.csv |
4PNW-2VM | data/4P/4PNW-2VM/4PNW-2VM_ligand.pdbqt | data/4P/4PNW-2VM/4PNW-2VM_target.pdbqt | data/4P/4PNW-2VM/4PNW-2VM_decoys.pdbqt | data/4P/4PNW-2VM/4PNW-2VM_decoy_scores.csv |
4P5D-N6P | data/4P/4P5D-N6P/4P5D-N6P_ligand.pdbqt | data/4P/4P5D-N6P/4P5D-N6P_target.pdbqt | data/4P/4P5D-N6P/4P5D-N6P_decoys.pdbqt | data/4P/4P5D-N6P/4P5D-N6P_decoy_scores.csv |
4PB2-DMU | data/4P/4PB2-DMU/4PB2-DMU_ligand.pdbqt | data/4P/4PB2-DMU/4PB2-DMU_target.pdbqt | data/4P/4PB2-DMU/4PB2-DMU_decoys.pdbqt | data/4P/4PB2-DMU/4PB2-DMU_decoy_scores.csv |
4PWH-PWH | data/4P/4PWH-PWH/4PWH-PWH_ligand.pdbqt | data/4P/4PWH-PWH/4PWH-PWH_target.pdbqt | data/4P/4PWH-PWH/4PWH-PWH_decoys.pdbqt | data/4P/4PWH-PWH/4PWH-PWH_decoy_scores.csv |
4PKS-30H | data/4P/4PKS-30H/4PKS-30H_ligand.pdbqt | data/4P/4PKS-30H/4PKS-30H_target.pdbqt | data/4P/4PKS-30H/4PKS-30H_decoys.pdbqt | data/4P/4PKS-30H/4PKS-30H_decoy_scores.csv |
4PFP-ADP | data/4P/4PFP-ADP/4PFP-ADP_ligand.pdbqt | data/4P/4PFP-ADP/4PFP-ADP_target.pdbqt | data/4P/4PFP-ADP/4PFP-ADP_decoys.pdbqt | data/4P/4PFP-ADP/4PFP-ADP_decoy_scores.csv |
4PQA-X8Z | data/4P/4PQA-X8Z/4PQA-X8Z_ligand.pdbqt | data/4P/4PQA-X8Z/4PQA-X8Z_target.pdbqt | data/4P/4PQA-X8Z/4PQA-X8Z_decoys.pdbqt | data/4P/4PQA-X8Z/4PQA-X8Z_decoy_scores.csv |
4P6T-YRL | data/4P/4P6T-YRL/4P6T-YRL_ligand.pdbqt | data/4P/4P6T-YRL/4P6T-YRL_target.pdbqt | data/4P/4P6T-YRL/4P6T-YRL_decoys.pdbqt | data/4P/4P6T-YRL/4P6T-YRL_decoy_scores.csv |
4PSE-C11 | data/4P/4PSE-C11/4PSE-C11_ligand.pdbqt | data/4P/4PSE-C11/4PSE-C11_target.pdbqt | data/4P/4PSE-C11/4PSE-C11_decoys.pdbqt | data/4P/4PSE-C11/4PSE-C11_decoy_scores.csv |
4PLE-CPS | data/4P/4PLE-CPS/4PLE-CPS_ligand.pdbqt | data/4P/4PLE-CPS/4PLE-CPS_target.pdbqt | data/4P/4PLE-CPS/4PLE-CPS_decoys.pdbqt | data/4P/4PLE-CPS/4PLE-CPS_decoy_scores.csv |
4PHU-OLC | data/4P/4PHU-OLC/4PHU-OLC_ligand.pdbqt | data/4P/4PHU-OLC/4PHU-OLC_target.pdbqt | data/4P/4PHU-OLC/4PHU-OLC_decoys.pdbqt | data/4P/4PHU-OLC/4PHU-OLC_decoy_scores.csv |
4PIE-3FO | data/4P/4PIE-3FO/4PIE-3FO_ligand.pdbqt | data/4P/4PIE-3FO/4PIE-3FO_target.pdbqt | data/4P/4PIE-3FO/4PIE-3FO_decoys.pdbqt | data/4P/4PIE-3FO/4PIE-3FO_decoy_scores.csv |
4PZH-BCN | data/4P/4PZH-BCN/4PZH-BCN_ligand.pdbqt | data/4P/4PZH-BCN/4PZH-BCN_target.pdbqt | data/4P/4PZH-BCN/4PZH-BCN_decoys.pdbqt | data/4P/4PZH-BCN/4PZH-BCN_decoy_scores.csv |
4PVG-2WT | data/4P/4PVG-2WT/4PVG-2WT_ligand.pdbqt | data/4P/4PVG-2WT/4PVG-2WT_target.pdbqt | data/4P/4PVG-2WT/4PVG-2WT_decoys.pdbqt | data/4P/4PVG-2WT/4PVG-2WT_decoy_scores.csv |
4PUU-2WR | data/4P/4PUU-2WR/4PUU-2WR_ligand.pdbqt | data/4P/4PUU-2WR/4PUU-2WR_target.pdbqt | data/4P/4PUU-2WR/4PUU-2WR_decoys.pdbqt | data/4P/4PUU-2WR/4PUU-2WR_decoy_scores.csv |
4PA8-2K6 | data/4P/4PA8-2K6/4PA8-2K6_ligand.pdbqt | data/4P/4PA8-2K6/4PA8-2K6_target.pdbqt | data/4P/4PA8-2K6/4PA8-2K6_decoys.pdbqt | data/4P/4PA8-2K6/4PA8-2K6_decoy_scores.csv |
4PFX-UDP | data/4P/4PFX-UDP/4PFX-UDP_ligand.pdbqt | data/4P/4PFX-UDP/4PFX-UDP_target.pdbqt | data/4P/4PFX-UDP/4PFX-UDP_decoys.pdbqt | data/4P/4PFX-UDP/4PFX-UDP_decoy_scores.csv |
4P8P-RG2 | data/4P/4P8P-RG2/4P8P-RG2_ligand.pdbqt | data/4P/4P8P-RG2/4P8P-RG2_target.pdbqt | data/4P/4P8P-RG2/4P8P-RG2_decoys.pdbqt | data/4P/4P8P-RG2/4P8P-RG2_decoy_scores.csv |
4P2T-24Q | data/4P/4P2T-24Q/4P2T-24Q_ligand.pdbqt | data/4P/4P2T-24Q/4P2T-24Q_target.pdbqt | data/4P/4P2T-24Q/4P2T-24Q_decoys.pdbqt | data/4P/4P2T-24Q/4P2T-24Q_decoy_scores.csv |
4P3Y-GDP | data/4P/4P3Y-GDP/4P3Y-GDP_ligand.pdbqt | data/4P/4P3Y-GDP/4P3Y-GDP_target.pdbqt | data/4P/4P3Y-GDP/4P3Y-GDP_decoys.pdbqt | data/4P/4P3Y-GDP/4P3Y-GDP_decoy_scores.csv |
4PF3-HFN | data/4P/4PF3-HFN/4PF3-HFN_ligand.pdbqt | data/4P/4PF3-HFN/4PF3-HFN_target.pdbqt | data/4P/4PF3-HFN/4PF3-HFN_decoys.pdbqt | data/4P/4PF3-HFN/4PF3-HFN_decoy_scores.csv |
4PX2-S6P | data/4P/4PX2-S6P/4PX2-S6P_ligand.pdbqt | data/4P/4PX2-S6P/4PX2-S6P_target.pdbqt | data/4P/4PX2-S6P/4PX2-S6P_decoys.pdbqt | data/4P/4PX2-S6P/4PX2-S6P_decoy_scores.csv |
4PKV-30R | data/4P/4PKV-30R/4PKV-30R_ligand.pdbqt | data/4P/4PKV-30R/4PKV-30R_target.pdbqt | data/4P/4PKV-30R/4PKV-30R_decoys.pdbqt | data/4P/4PKV-30R/4PKV-30R_decoy_scores.csv |
4PST-FOL | data/4P/4PST-FOL/4PST-FOL_ligand.pdbqt | data/4P/4PST-FOL/4PST-FOL_target.pdbqt | data/4P/4PST-FOL/4PST-FOL_decoys.pdbqt | data/4P/4PST-FOL/4PST-FOL_decoy_scores.csv |
4P0N-1IS | data/4P/4P0N-1IS/4P0N-1IS_ligand.pdbqt | data/4P/4P0N-1IS/4P0N-1IS_target.pdbqt | data/4P/4P0N-1IS/4P0N-1IS_decoys.pdbqt | data/4P/4P0N-1IS/4P0N-1IS_decoy_scores.csv |
4PFM-FLC | data/4P/4PFM-FLC/4PFM-FLC_ligand.pdbqt | data/4P/4PFM-FLC/4PFM-FLC_target.pdbqt | data/4P/4PFM-FLC/4PFM-FLC_decoys.pdbqt | data/4P/4PFM-FLC/4PFM-FLC_decoy_scores.csv |
4PGN-3IO | data/4P/4PGN-3IO/4PGN-3IO_ligand.pdbqt | data/4P/4PGN-3IO/4PGN-3IO_target.pdbqt | data/4P/4PGN-3IO/4PGN-3IO_decoys.pdbqt | data/4P/4PGN-3IO/4PGN-3IO_decoy_scores.csv |
4P8C-2J3 | data/4P/4P8C-2J3/4P8C-2J3_ligand.pdbqt | data/4P/4P8C-2J3/4P8C-2J3_target.pdbqt | data/4P/4P8C-2J3/4P8C-2J3_decoys.pdbqt | data/4P/4P8C-2J3/4P8C-2J3_decoy_scores.csv |
4P6G-2FZ | data/4P/4P6G-2FZ/4P6G-2FZ_ligand.pdbqt | data/4P/4P6G-2FZ/4P6G-2FZ_target.pdbqt | data/4P/4P6G-2FZ/4P6G-2FZ_decoys.pdbqt | data/4P/4P6G-2FZ/4P6G-2FZ_decoy_scores.csv |
4PRT-2WB | data/4P/4PRT-2WB/4PRT-2WB_ligand.pdbqt | data/4P/4PRT-2WB/4PRT-2WB_target.pdbqt | data/4P/4PRT-2WB/4PRT-2WB_decoys.pdbqt | data/4P/4PRT-2WB/4PRT-2WB_decoy_scores.csv |
4P77-5RP | data/4P/4P77-5RP/4P77-5RP_ligand.pdbqt | data/4P/4P77-5RP/4P77-5RP_target.pdbqt | data/4P/4P77-5RP/4P77-5RP_decoys.pdbqt | data/4P/4P77-5RP/4P77-5RP_decoy_scores.csv |
4PBS-2L7 | data/4P/4PBS-2L7/4PBS-2L7_ligand.pdbqt | data/4P/4PBS-2L7/4PBS-2L7_target.pdbqt | data/4P/4PBS-2L7/4PBS-2L7_decoys.pdbqt | data/4P/4PBS-2L7/4PBS-2L7_decoy_scores.csv |
4P6P-RES | data/4P/4P6P-RES/4P6P-RES_ligand.pdbqt | data/4P/4P6P-RES/4P6P-RES_target.pdbqt | data/4P/4P6P-RES/4P6P-RES_decoys.pdbqt | data/4P/4P6P-RES/4P6P-RES_decoy_scores.csv |
4P8K-38C | data/4P/4P8K-38C/4P8K-38C_ligand.pdbqt | data/4P/4P8K-38C/4P8K-38C_target.pdbqt | data/4P/4P8K-38C/4P8K-38C_decoys.pdbqt | data/4P/4P8K-38C/4P8K-38C_decoy_scores.csv |
4P06-MUX | data/4P/4P06-MUX/4P06-MUX_ligand.pdbqt | data/4P/4P06-MUX/4P06-MUX_target.pdbqt | data/4P/4P06-MUX/4P06-MUX_decoys.pdbqt | data/4P/4P06-MUX/4P06-MUX_decoy_scores.csv |
4PJE-30W | data/4P/4PJE-30W/4PJE-30W_ligand.pdbqt | data/4P/4PJE-30W/4PJE-30W_target.pdbqt | data/4P/4PJE-30W/4PJE-30W_decoys.pdbqt | data/4P/4PJE-30W/4PJE-30W_decoy_scores.csv |
4PUJ-CKR | data/4P/4PUJ-CKR/4PUJ-CKR_ligand.pdbqt | data/4P/4PUJ-CKR/4PUJ-CKR_target.pdbqt | data/4P/4PUJ-CKR/4PUJ-CKR_decoys.pdbqt | data/4P/4PUJ-CKR/4PUJ-CKR_decoy_scores.csv |
4P3L-BDP | data/4P/4P3L-BDP/4P3L-BDP_ligand.pdbqt | data/4P/4P3L-BDP/4P3L-BDP_target.pdbqt | data/4P/4P3L-BDP/4P3L-BDP_decoys.pdbqt | data/4P/4P3L-BDP/4P3L-BDP_decoy_scores.csv |
4P7K-SFG | data/4P/4P7K-SFG/4P7K-SFG_ligand.pdbqt | data/4P/4P7K-SFG/4P7K-SFG_target.pdbqt | data/4P/4P7K-SFG/4P7K-SFG_decoys.pdbqt | data/4P/4P7K-SFG/4P7K-SFG_decoy_scores.csv |
4PHG-2UJ | data/4P/4PHG-2UJ/4PHG-2UJ_ligand.pdbqt | data/4P/4PHG-2UJ/4PHG-2UJ_target.pdbqt | null | null |
4PJT-2YQ | data/4P/4PJT-2YQ/4PJT-2YQ_ligand.pdbqt | data/4P/4PJT-2YQ/4PJT-2YQ_target.pdbqt | data/4P/4PJT-2YQ/4PJT-2YQ_decoys.pdbqt | data/4P/4PJT-2YQ/4PJT-2YQ_decoy_scores.csv |
4PXZ-OLC | data/4P/4PXZ-OLC/4PXZ-OLC_ligand.pdbqt | data/4P/4PXZ-OLC/4PXZ-OLC_target.pdbqt | data/4P/4PXZ-OLC/4PXZ-OLC_decoys.pdbqt | data/4P/4PXZ-OLC/4PXZ-OLC_decoy_scores.csv |
4PVB-2WW | data/4P/4PVB-2WW/4PVB-2WW_ligand.pdbqt | data/4P/4PVB-2WW/4PVB-2WW_target.pdbqt | data/4P/4PVB-2WW/4PVB-2WW_decoys.pdbqt | data/4P/4PVB-2WW/4PVB-2WW_decoy_scores.csv |
4PMF-CUR | data/4P/4PMF-CUR/4PMF-CUR_ligand.pdbqt | data/4P/4PMF-CUR/4PMF-CUR_target.pdbqt | data/4P/4PMF-CUR/4PMF-CUR_decoys.pdbqt | data/4P/4PMF-CUR/4PMF-CUR_decoy_scores.csv |
4POO-SAM | data/4P/4POO-SAM/4POO-SAM_ligand.pdbqt | data/4P/4POO-SAM/4POO-SAM_target.pdbqt | data/4P/4POO-SAM/4POO-SAM_decoys.pdbqt | data/4P/4POO-SAM/4POO-SAM_decoy_scores.csv |
4P53-NAI | data/4P/4P53-NAI/4P53-NAI_ligand.pdbqt | data/4P/4P53-NAI/4P53-NAI_target.pdbqt | data/4P/4P53-NAI/4P53-NAI_decoys.pdbqt | data/4P/4P53-NAI/4P53-NAI_decoy_scores.csv |
4PNN-JPZ | data/4P/4PNN-JPZ/4PNN-JPZ_ligand.pdbqt | data/4P/4PNN-JPZ/4PNN-JPZ_target.pdbqt | data/4P/4PNN-JPZ/4PNN-JPZ_decoys.pdbqt | data/4P/4PNN-JPZ/4PNN-JPZ_decoy_scores.csv |
4P1H-BEN | data/4P/4P1H-BEN/4P1H-BEN_ligand.pdbqt | data/4P/4P1H-BEN/4P1H-BEN_target.pdbqt | null | null |
4PFJ-NAD | data/4P/4PFJ-NAD/4PFJ-NAD_ligand.pdbqt | data/4P/4PFJ-NAD/4PFJ-NAD_target.pdbqt | data/4P/4PFJ-NAD/4PFJ-NAD_decoys.pdbqt | data/4P/4PFJ-NAD/4PFJ-NAD_decoy_scores.csv |
4PC2-GDP | data/4P/4PC2-GDP/4PC2-GDP_ligand.pdbqt | data/4P/4PC2-GDP/4PC2-GDP_target.pdbqt | data/4P/4PC2-GDP/4PC2-GDP_decoys.pdbqt | data/4P/4PC2-GDP/4PC2-GDP_decoy_scores.csv |
4P8Y-38C | data/4P/4P8Y-38C/4P8Y-38C_ligand.pdbqt | data/4P/4P8Y-38C/4P8Y-38C_target.pdbqt | data/4P/4P8Y-38C/4P8Y-38C_decoys.pdbqt | data/4P/4P8Y-38C/4P8Y-38C_decoy_scores.csv |
4P4T-GDP | data/4P/4P4T-GDP/4P4T-GDP_ligand.pdbqt | data/4P/4P4T-GDP/4P4T-GDP_target.pdbqt | data/4P/4P4T-GDP/4P4T-GDP_decoys.pdbqt | data/4P/4P4T-GDP/4P4T-GDP_decoy_scores.csv |
4PX3-S6P | data/4P/4PX3-S6P/4PX3-S6P_ligand.pdbqt | data/4P/4PX3-S6P/4PX3-S6P_target.pdbqt | data/4P/4PX3-S6P/4PX3-S6P_decoys.pdbqt | data/4P/4PX3-S6P/4PX3-S6P_decoy_scores.csv |
4PPV-PHE | data/4P/4PPV-PHE/4PPV-PHE_ligand.pdbqt | data/4P/4PPV-PHE/4PPV-PHE_target.pdbqt | data/4P/4PPV-PHE/4PPV-PHE_decoys.pdbqt | data/4P/4PPV-PHE/4PPV-PHE_decoy_scores.csv |
4P5F-AR6 | data/4P/4P5F-AR6/4P5F-AR6_ligand.pdbqt | data/4P/4P5F-AR6/4P5F-AR6_target.pdbqt | data/4P/4P5F-AR6/4P5F-AR6_decoys.pdbqt | data/4P/4P5F-AR6/4P5F-AR6_decoy_scores.csv |
4PXZ-6AD | data/4P/4PXZ-6AD/4PXZ-6AD_ligand.pdbqt | data/4P/4PXZ-6AD/4PXZ-6AD_target.pdbqt | data/4P/4PXZ-6AD/4PXZ-6AD_decoys.pdbqt | data/4P/4PXZ-6AD/4PXZ-6AD_decoy_scores.csv |
4P3P-2CR | data/4P/4P3P-2CR/4P3P-2CR_ligand.pdbqt | data/4P/4P3P-2CR/4P3P-2CR_target.pdbqt | data/4P/4P3P-2CR/4P3P-2CR_decoys.pdbqt | data/4P/4P3P-2CR/4P3P-2CR_decoy_scores.csv |
4PCT-H76 | data/4P/4PCT-H76/4PCT-H76_ligand.pdbqt | data/4P/4PCT-H76/4PCT-H76_target.pdbqt | data/4P/4PCT-H76/4PCT-H76_decoys.pdbqt | data/4P/4PCT-H76/4PCT-H76_decoy_scores.csv |
4P5Q-Q0B | data/4P/4P5Q-Q0B/4P5Q-Q0B_ligand.pdbqt | data/4P/4P5Q-Q0B/4P5Q-Q0B_target.pdbqt | data/4P/4P5Q-Q0B/4P5Q-Q0B_decoys.pdbqt | data/4P/4P5Q-Q0B/4P5Q-Q0B_decoy_scores.csv |
4PZ6-GMP | data/4P/4PZ6-GMP/4PZ6-GMP_ligand.pdbqt | data/4P/4PZ6-GMP/4PZ6-GMP_target.pdbqt | data/4P/4PZ6-GMP/4PZ6-GMP_decoys.pdbqt | data/4P/4PZ6-GMP/4PZ6-GMP_decoy_scores.csv |
4PLC-NAD | data/4P/4PLC-NAD/4PLC-NAD_ligand.pdbqt | data/4P/4PLC-NAD/4PLC-NAD_target.pdbqt | data/4P/4PLC-NAD/4PLC-NAD_decoys.pdbqt | data/4P/4PLC-NAD/4PLC-NAD_decoy_scores.csv |
4P56-SMN | data/4P/4P56-SMN/4P56-SMN_ligand.pdbqt | data/4P/4P56-SMN/4P56-SMN_target.pdbqt | data/4P/4P56-SMN/4P56-SMN_decoys.pdbqt | data/4P/4P56-SMN/4P56-SMN_decoy_scores.csv |
4PS5-2TA | data/4P/4PS5-2TA/4PS5-2TA_ligand.pdbqt | data/4P/4PS5-2TA/4PS5-2TA_target.pdbqt | data/4P/4PS5-2TA/4PS5-2TA_decoys.pdbqt | data/4P/4PS5-2TA/4PS5-2TA_decoy_scores.csv |
4PVT-S3C | data/4P/4PVT-S3C/4PVT-S3C_ligand.pdbqt | data/4P/4PVT-S3C/4PVT-S3C_target.pdbqt | data/4P/4PVT-S3C/4PVT-S3C_decoys.pdbqt | data/4P/4PVT-S3C/4PVT-S3C_decoy_scores.csv |
4PMY-XYP | data/4P/4PMY-XYP/4PMY-XYP_ligand.pdbqt | data/4P/4PMY-XYP/4PMY-XYP_target.pdbqt | data/4P/4PMY-XYP/4PMY-XYP_decoys.pdbqt | data/4P/4PMY-XYP/4PMY-XYP_decoy_scores.csv |
4PYX-V90 | data/4P/4PYX-V90/4PYX-V90_ligand.pdbqt | data/4P/4PYX-V90/4PYX-V90_target.pdbqt | data/4P/4PYX-V90/4PYX-V90_decoys.pdbqt | data/4P/4PYX-V90/4PYX-V90_decoy_scores.csv |
4PK0-GCS | data/4P/4PK0-GCS/4PK0-GCS_ligand.pdbqt | data/4P/4PK0-GCS/4PK0-GCS_target.pdbqt | data/4P/4PK0-GCS/4PK0-GCS_decoys.pdbqt | data/4P/4PK0-GCS/4PK0-GCS_decoy_scores.csv |
4PM0-32V | data/4P/4PM0-32V/4PM0-32V_ligand.pdbqt | data/4P/4PM0-32V/4PM0-32V_target.pdbqt | data/4P/4PM0-32V/4PM0-32V_decoys.pdbqt | data/4P/4PM0-32V/4PM0-32V_decoy_scores.csv |
4PWY-SAH | data/4P/4PWY-SAH/4PWY-SAH_ligand.pdbqt | data/4P/4PWY-SAH/4PWY-SAH_target.pdbqt | data/4P/4PWY-SAH/4PWY-SAH_decoys.pdbqt | data/4P/4PWY-SAH/4PWY-SAH_decoy_scores.csv |
4PHF-2UH | data/4P/4PHF-2UH/4PHF-2UH_ligand.pdbqt | data/4P/4PHF-2UH/4PHF-2UH_target.pdbqt | data/4P/4PHF-2UH/4PHF-2UH_decoys.pdbqt | data/4P/4PHF-2UH/4PHF-2UH_decoy_scores.csv |
4PSS-FOL | data/4P/4PSS-FOL/4PSS-FOL_ligand.pdbqt | data/4P/4PSS-FOL/4PSS-FOL_target.pdbqt | data/4P/4PSS-FOL/4PSS-FOL_decoys.pdbqt | data/4P/4PSS-FOL/4PSS-FOL_decoy_scores.csv |
4P8C-Y22 | data/4P/4P8C-Y22/4P8C-Y22_ligand.pdbqt | data/4P/4P8C-Y22/4P8C-Y22_target.pdbqt | data/4P/4P8C-Y22/4P8C-Y22_decoys.pdbqt | data/4P/4P8C-Y22/4P8C-Y22_decoy_scores.csv |
4PI9-3LT | data/4P/4PI9-3LT/4PI9-3LT_ligand.pdbqt | data/4P/4PI9-3LT/4PI9-3LT_target.pdbqt | data/4P/4PI9-3LT/4PI9-3LT_decoys.pdbqt | data/4P/4PI9-3LT/4PI9-3LT_decoy_scores.csv |
4PFJ-ADN | data/4P/4PFJ-ADN/4PFJ-ADN_ligand.pdbqt | data/4P/4PFJ-ADN/4PFJ-ADN_target.pdbqt | data/4P/4PFJ-ADN/4PFJ-ADN_decoys.pdbqt | data/4P/4PFJ-ADN/4PFJ-ADN_decoy_scores.csv |
4PA0-2OW | data/4P/4PA0-2OW/4PA0-2OW_ligand.pdbqt | data/4P/4PA0-2OW/4PA0-2OW_target.pdbqt | data/4P/4PA0-2OW/4PA0-2OW_decoys.pdbqt | data/4P/4PA0-2OW/4PA0-2OW_decoy_scores.csv |
4P58-2F6 | data/4P/4P58-2F6/4P58-2F6_ligand.pdbqt | data/4P/4P58-2F6/4P58-2F6_target.pdbqt | data/4P/4P58-2F6/4P58-2F6_decoys.pdbqt | data/4P/4P58-2F6/4P58-2F6_decoy_scores.csv |
4PKH-ADP | data/4P/4PKH-ADP/4PKH-ADP_ligand.pdbqt | data/4P/4PKH-ADP/4PKH-ADP_target.pdbqt | data/4P/4PKH-ADP/4PKH-ADP_decoys.pdbqt | data/4P/4PKH-ADP/4PKH-ADP_decoy_scores.csv |
4PGL-SOE | data/4P/4PGL-SOE/4PGL-SOE_ligand.pdbqt | data/4P/4PGL-SOE/4PGL-SOE_target.pdbqt | data/4P/4PGL-SOE/4PGL-SOE_decoys.pdbqt | data/4P/4PGL-SOE/4PGL-SOE_decoy_scores.csv |
4PC6-GNP | data/4P/4PC6-GNP/4PC6-GNP_ligand.pdbqt | data/4P/4PC6-GNP/4PC6-GNP_target.pdbqt | data/4P/4PC6-GNP/4PC6-GNP_decoys.pdbqt | data/4P/4PC6-GNP/4PC6-GNP_decoy_scores.csv |
4PZW-2X4 | data/4P/4PZW-2X4/4PZW-2X4_ligand.pdbqt | data/4P/4PZW-2X4/4PZW-2X4_target.pdbqt | data/4P/4PZW-2X4/4PZW-2X4_decoys.pdbqt | data/4P/4PZW-2X4/4PZW-2X4_decoy_scores.csv |
4PI3-2V5 | data/4P/4PI3-2V5/4PI3-2V5_ligand.pdbqt | data/4P/4PI3-2V5/4PI3-2V5_target.pdbqt | data/4P/4PI3-2V5/4PI3-2V5_decoys.pdbqt | data/4P/4PI3-2V5/4PI3-2V5_decoy_scores.csv |
4P5Z-Q7M | data/4P/4P5Z-Q7M/4P5Z-Q7M_ligand.pdbqt | data/4P/4P5Z-Q7M/4P5Z-Q7M_target.pdbqt | data/4P/4P5Z-Q7M/4P5Z-Q7M_decoys.pdbqt | data/4P/4P5Z-Q7M/4P5Z-Q7M_decoy_scores.csv |
4POW-OP1 | data/4P/4POW-OP1/4POW-OP1_ligand.pdbqt | data/4P/4POW-OP1/4POW-OP1_target.pdbqt | data/4P/4POW-OP1/4POW-OP1_decoys.pdbqt | data/4P/4POW-OP1/4POW-OP1_decoy_scores.csv |
4P86-5GP | data/4P/4P86-5GP/4P86-5GP_ligand.pdbqt | data/4P/4P86-5GP/4P86-5GP_target.pdbqt | data/4P/4P86-5GP/4P86-5GP_decoys.pdbqt | data/4P/4P86-5GP/4P86-5GP_decoy_scores.csv |
4P6R-TYR | data/4P/4P6R-TYR/4P6R-TYR_ligand.pdbqt | data/4P/4P6R-TYR/4P6R-TYR_target.pdbqt | data/4P/4P6R-TYR/4P6R-TYR_decoys.pdbqt | data/4P/4P6R-TYR/4P6R-TYR_decoy_scores.csv |
4PVO-S3C | data/4P/4PVO-S3C/4PVO-S3C_ligand.pdbqt | data/4P/4PVO-S3C/4PVO-S3C_target.pdbqt | data/4P/4PVO-S3C/4PVO-S3C_decoys.pdbqt | data/4P/4PVO-S3C/4PVO-S3C_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.