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 ⌀ |
|---|---|---|---|---|
1AFK-PAP | data/1A/1AFK-PAP/1AFK-PAP_ligand.pdbqt | data/1A/1AFK-PAP/1AFK-PAP_target.pdbqt | data/1A/1AFK-PAP/1AFK-PAP_decoys.pdbqt | data/1A/1AFK-PAP/1AFK-PAP_decoy_scores.csv |
1ALW-ISA | data/1A/1ALW-ISA/1ALW-ISA_ligand.pdbqt | data/1A/1ALW-ISA/1ALW-ISA_target.pdbqt | data/1A/1ALW-ISA/1ALW-ISA_decoys.pdbqt | data/1A/1ALW-ISA/1ALW-ISA_decoy_scores.csv |
1AIQ-CB3 | data/1A/1AIQ-CB3/1AIQ-CB3_ligand.pdbqt | data/1A/1AIQ-CB3/1AIQ-CB3_target.pdbqt | data/1A/1AIQ-CB3/1AIQ-CB3_decoys.pdbqt | data/1A/1AIQ-CB3/1AIQ-CB3_decoy_scores.csv |
1A4K-FRA | data/1A/1A4K-FRA/1A4K-FRA_ligand.pdbqt | data/1A/1A4K-FRA/1A4K-FRA_target.pdbqt | data/1A/1A4K-FRA/1A4K-FRA_decoys.pdbqt | data/1A/1A4K-FRA/1A4K-FRA_decoy_scores.csv |
1AAX-BPM | data/1A/1AAX-BPM/1AAX-BPM_ligand.pdbqt | data/1A/1AAX-BPM/1AAX-BPM_target.pdbqt | data/1A/1AAX-BPM/1AAX-BPM_decoys.pdbqt | data/1A/1AAX-BPM/1AAX-BPM_decoy_scores.csv |
1AXB-FOS | data/1A/1AXB-FOS/1AXB-FOS_ligand.pdbqt | data/1A/1AXB-FOS/1AXB-FOS_target.pdbqt | data/1A/1AXB-FOS/1AXB-FOS_decoys.pdbqt | data/1A/1AXB-FOS/1AXB-FOS_decoy_scores.csv |
1AQU-A3P | data/1A/1AQU-A3P/1AQU-A3P_ligand.pdbqt | data/1A/1AQU-A3P/1AQU-A3P_target.pdbqt | data/1A/1AQU-A3P/1AQU-A3P_decoys.pdbqt | data/1A/1AQU-A3P/1AQU-A3P_decoy_scores.csv |
1AH3-TOL | data/1A/1AH3-TOL/1AH3-TOL_ligand.pdbqt | data/1A/1AH3-TOL/1AH3-TOL_target.pdbqt | data/1A/1AH3-TOL/1AH3-TOL_decoys.pdbqt | data/1A/1AH3-TOL/1AH3-TOL_decoy_scores.csv |
1AYU-INA | data/1A/1AYU-INA/1AYU-INA_ligand.pdbqt | data/1A/1AYU-INA/1AYU-INA_target.pdbqt | data/1A/1AYU-INA/1AYU-INA_decoys.pdbqt | data/1A/1AYU-INA/1AYU-INA_decoy_scores.csv |
1AL8-FMN | data/1A/1AL8-FMN/1AL8-FMN_ligand.pdbqt | data/1A/1AL8-FMN/1AL8-FMN_target.pdbqt | data/1A/1AL8-FMN/1AL8-FMN_decoys.pdbqt | data/1A/1AL8-FMN/1AL8-FMN_decoy_scores.csv |
1ADO-13P | data/1A/1ADO-13P/1ADO-13P_ligand.pdbqt | data/1A/1ADO-13P/1ADO-13P_target.pdbqt | data/1A/1ADO-13P/1ADO-13P_decoys.pdbqt | data/1A/1ADO-13P/1ADO-13P_decoy_scores.csv |
1ARH-PPD | data/1A/1ARH-PPD/1ARH-PPD_ligand.pdbqt | data/1A/1ARH-PPD/1ARH-PPD_target.pdbqt | data/1A/1ARH-PPD/1ARH-PPD_decoys.pdbqt | data/1A/1ARH-PPD/1ARH-PPD_decoy_scores.csv |
1AJ0-SAN | data/1A/1AJ0-SAN/1AJ0-SAN_ligand.pdbqt | data/1A/1AJ0-SAN/1AJ0-SAN_target.pdbqt | data/1A/1AJ0-SAN/1AJ0-SAN_decoys.pdbqt | data/1A/1AJ0-SAN/1AJ0-SAN_decoy_scores.csv |
1AFL-ATR | data/1A/1AFL-ATR/1AFL-ATR_ligand.pdbqt | data/1A/1AFL-ATR/1AFL-ATR_target.pdbqt | data/1A/1AFL-ATR/1AFL-ATR_decoys.pdbqt | data/1A/1AFL-ATR/1AFL-ATR_decoy_scores.csv |
1AND-BEN | data/1A/1AND-BEN/1AND-BEN_ligand.pdbqt | data/1A/1AND-BEN/1AND-BEN_target.pdbqt | data/1A/1AND-BEN/1AND-BEN_decoys.pdbqt | data/1A/1AND-BEN/1AND-BEN_decoy_scores.csv |
1AKQ-FMN | data/1A/1AKQ-FMN/1AKQ-FMN_ligand.pdbqt | data/1A/1AKQ-FMN/1AKQ-FMN_target.pdbqt | data/1A/1AKQ-FMN/1AKQ-FMN_decoys.pdbqt | data/1A/1AKQ-FMN/1AKQ-FMN_decoy_scores.csv |
1A71-NAD | data/1A/1A71-NAD/1A71-NAD_ligand.pdbqt | data/1A/1A71-NAD/1A71-NAD_target.pdbqt | data/1A/1A71-NAD/1A71-NAD_decoys.pdbqt | data/1A/1A71-NAD/1A71-NAD_decoy_scores.csv |
1AYL-ATP | data/1A/1AYL-ATP/1AYL-ATP_ligand.pdbqt | data/1A/1AYL-ATP/1AYL-ATP_target.pdbqt | data/1A/1AYL-ATP/1AYL-ATP_decoys.pdbqt | data/1A/1AYL-ATP/1AYL-ATP_decoy_scores.csv |
1A53-IGP | data/1A/1A53-IGP/1A53-IGP_ligand.pdbqt | data/1A/1A53-IGP/1A53-IGP_target.pdbqt | data/1A/1A53-IGP/1A53-IGP_decoys.pdbqt | data/1A/1A53-IGP/1A53-IGP_decoy_scores.csv |
1A6V-NPC | data/1A/1A6V-NPC/1A6V-NPC_ligand.pdbqt | data/1A/1A6V-NPC/1A6V-NPC_target.pdbqt | data/1A/1A6V-NPC/1A6V-NPC_decoys.pdbqt | data/1A/1A6V-NPC/1A6V-NPC_decoy_scores.csv |
1AY8-HCI | data/1A/1AY8-HCI/1AY8-HCI_ligand.pdbqt | data/1A/1AY8-HCI/1AY8-HCI_target.pdbqt | data/1A/1AY8-HCI/1AY8-HCI_decoys.pdbqt | data/1A/1AY8-HCI/1AY8-HCI_decoy_scores.csv |
1AZS-GSP | data/1A/1AZS-GSP/1AZS-GSP_ligand.pdbqt | data/1A/1AZS-GSP/1AZS-GSP_target.pdbqt | data/1A/1AZS-GSP/1AZS-GSP_decoys.pdbqt | data/1A/1AZS-GSP/1AZS-GSP_decoy_scores.csv |
1AG9-BTB | data/1A/1AG9-BTB/1AG9-BTB_ligand.pdbqt | data/1A/1AG9-BTB/1AG9-BTB_target.pdbqt | data/1A/1AG9-BTB/1AG9-BTB_decoys.pdbqt | data/1A/1AG9-BTB/1AG9-BTB_decoy_scores.csv |
1A4W-QWE | data/1A/1A4W-QWE/1A4W-QWE_ligand.pdbqt | data/1A/1A4W-QWE/1A4W-QWE_target.pdbqt | data/1A/1A4W-QWE/1A4W-QWE_decoys.pdbqt | data/1A/1A4W-QWE/1A4W-QWE_decoy_scores.csv |
1A42-BZU | data/1A/1A42-BZU/1A42-BZU_ligand.pdbqt | data/1A/1A42-BZU/1A42-BZU_target.pdbqt | data/1A/1A42-BZU/1A42-BZU_decoys.pdbqt | data/1A/1A42-BZU/1A42-BZU_decoy_scores.csv |
1AHI-NAI | data/1A/1AHI-NAI/1AHI-NAI_ligand.pdbqt | data/1A/1AHI-NAI/1AHI-NAI_target.pdbqt | data/1A/1AHI-NAI/1AHI-NAI_decoys.pdbqt | data/1A/1AHI-NAI/1AHI-NAI_decoy_scores.csv |
1ANC-BEN | data/1A/1ANC-BEN/1ANC-BEN_ligand.pdbqt | data/1A/1ANC-BEN/1ANC-BEN_target.pdbqt | data/1A/1ANC-BEN/1ANC-BEN_decoys.pdbqt | data/1A/1ANC-BEN/1ANC-BEN_decoy_scores.csv |
1AID-THK | data/1A/1AID-THK/1AID-THK_ligand.pdbqt | data/1A/1AID-THK/1AID-THK_target.pdbqt | data/1A/1AID-THK/1AID-THK_decoys.pdbqt | data/1A/1AID-THK/1AID-THK_decoy_scores.csv |
1AXW-MTX | data/1A/1AXW-MTX/1AXW-MTX_ligand.pdbqt | data/1A/1AXW-MTX/1AXW-MTX_target.pdbqt | data/1A/1AXW-MTX/1AXW-MTX_decoys.pdbqt | data/1A/1AXW-MTX/1AXW-MTX_decoy_scores.csv |
1A9U-SB2 | data/1A/1A9U-SB2/1A9U-SB2_ligand.pdbqt | data/1A/1A9U-SB2/1A9U-SB2_target.pdbqt | data/1A/1A9U-SB2/1A9U-SB2_decoys.pdbqt | data/1A/1A9U-SB2/1A9U-SB2_decoy_scores.csv |
1AHA-ADE | data/1A/1AHA-ADE/1AHA-ADE_ligand.pdbqt | data/1A/1AHA-ADE/1AHA-ADE_target.pdbqt | data/1A/1AHA-ADE/1AHA-ADE_decoys.pdbqt | data/1A/1AHA-ADE/1AHA-ADE_decoy_scores.csv |
1A4R-GNH | data/1A/1A4R-GNH/1A4R-GNH_ligand.pdbqt | data/1A/1A4R-GNH/1A4R-GNH_target.pdbqt | data/1A/1A4R-GNH/1A4R-GNH_decoys.pdbqt | data/1A/1A4R-GNH/1A4R-GNH_decoy_scores.csv |
1AB8-FOK | data/1A/1AB8-FOK/1AB8-FOK_ligand.pdbqt | data/1A/1AB8-FOK/1AB8-FOK_target.pdbqt | data/1A/1AB8-FOK/1AB8-FOK_decoys.pdbqt | data/1A/1AB8-FOK/1AB8-FOK_decoy_scores.csv |
1AZ1-ALR | data/1A/1AZ1-ALR/1AZ1-ALR_ligand.pdbqt | data/1A/1AZ1-ALR/1AZ1-ALR_target.pdbqt | data/1A/1AZ1-ALR/1AZ1-ALR_decoys.pdbqt | data/1A/1AZ1-ALR/1AZ1-ALR_decoy_scores.csv |
1A0J-BEN | data/1A/1A0J-BEN/1A0J-BEN_ligand.pdbqt | data/1A/1A0J-BEN/1A0J-BEN_target.pdbqt | data/1A/1A0J-BEN/1A0J-BEN_decoys.pdbqt | data/1A/1A0J-BEN/1A0J-BEN_decoy_scores.csv |
1AQV-0HG | data/1A/1AQV-0HG/1AQV-0HG_ligand.pdbqt | data/1A/1AQV-0HG/1AQV-0HG_target.pdbqt | data/1A/1AQV-0HG/1AQV-0HG_decoys.pdbqt | data/1A/1AQV-0HG/1AQV-0HG_decoy_scores.csv |
1A9T-HPA | data/1A/1A9T-HPA/1A9T-HPA_ligand.pdbqt | data/1A/1A9T-HPA/1A9T-HPA_target.pdbqt | data/1A/1A9T-HPA/1A9T-HPA_decoys.pdbqt | data/1A/1A9T-HPA/1A9T-HPA_decoy_scores.csv |
1A9M-U0E | data/1A/1A9M-U0E/1A9M-U0E_ligand.pdbqt | data/1A/1A9M-U0E/1A9M-U0E_target.pdbqt | data/1A/1A9M-U0E/1A9M-U0E_decoys.pdbqt | data/1A/1A9M-U0E/1A9M-U0E_decoy_scores.csv |
1ASC-NPL | data/1A/1ASC-NPL/1ASC-NPL_ligand.pdbqt | data/1A/1ASC-NPL/1ASC-NPL_target.pdbqt | data/1A/1ASC-NPL/1ASC-NPL_decoys.pdbqt | data/1A/1ASC-NPL/1ASC-NPL_decoy_scores.csv |
1AEX-THP | data/1A/1AEX-THP/1AEX-THP_ligand.pdbqt | data/1A/1AEX-THP/1AEX-THP_target.pdbqt | data/1A/1AEX-THP/1AEX-THP_decoys.pdbqt | data/1A/1AEX-THP/1AEX-THP_decoy_scores.csv |
1ALL-CYC | data/1A/1ALL-CYC/1ALL-CYC_ligand.pdbqt | data/1A/1ALL-CYC/1ALL-CYC_target.pdbqt | data/1A/1ALL-CYC/1ALL-CYC_decoys.pdbqt | data/1A/1ALL-CYC/1ALL-CYC_decoy_scores.csv |
1AZS-FKP | data/1A/1AZS-FKP/1AZS-FKP_ligand.pdbqt | data/1A/1AZS-FKP/1AZS-FKP_target.pdbqt | data/1A/1AZS-FKP/1AZS-FKP_decoys.pdbqt | data/1A/1AZS-FKP/1AZS-FKP_decoy_scores.csv |
1A4R-GDP | data/1A/1A4R-GDP/1A4R-GDP_ligand.pdbqt | data/1A/1A4R-GDP/1A4R-GDP_target.pdbqt | data/1A/1A4R-GDP/1A4R-GDP_decoys.pdbqt | data/1A/1A4R-GDP/1A4R-GDP_decoy_scores.csv |
1AM1-ADP | data/1A/1AM1-ADP/1AM1-ADP_ligand.pdbqt | data/1A/1AM1-ADP/1AM1-ADP_target.pdbqt | data/1A/1AM1-ADP/1AM1-ADP_decoys.pdbqt | data/1A/1AM1-ADP/1AM1-ADP_decoy_scores.csv |
1AFB-NGA | data/1A/1AFB-NGA/1AFB-NGA_ligand.pdbqt | data/1A/1AFB-NGA/1AFB-NGA_target.pdbqt | data/1A/1AFB-NGA/1AFB-NGA_decoys.pdbqt | data/1A/1AFB-NGA/1AFB-NGA_decoy_scores.csv |
1ART-0A0 | data/1A/1ART-0A0/1ART-0A0_ligand.pdbqt | data/1A/1ART-0A0/1ART-0A0_target.pdbqt | data/1A/1ART-0A0/1ART-0A0_decoys.pdbqt | data/1A/1ART-0A0/1ART-0A0_decoy_scores.csv |
1ATR-ADP | data/1A/1ATR-ADP/1ATR-ADP_ligand.pdbqt | data/1A/1ATR-ADP/1ATR-ADP_target.pdbqt | data/1A/1ATR-ADP/1ATR-ADP_decoys.pdbqt | data/1A/1ATR-ADP/1ATR-ADP_decoy_scores.csv |
1A4Q-DPC | data/1A/1A4Q-DPC/1A4Q-DPC_ligand.pdbqt | data/1A/1A4Q-DPC/1A4Q-DPC_target.pdbqt | data/1A/1A4Q-DPC/1A4Q-DPC_decoys.pdbqt | data/1A/1A4Q-DPC/1A4Q-DPC_decoy_scores.csv |
1AIA-PMP | data/1A/1AIA-PMP/1AIA-PMP_ligand.pdbqt | data/1A/1AIA-PMP/1AIA-PMP_target.pdbqt | data/1A/1AIA-PMP/1AIA-PMP_decoys.pdbqt | data/1A/1AIA-PMP/1AIA-PMP_decoy_scores.csv |
1AXW-UMP | data/1A/1AXW-UMP/1AXW-UMP_ligand.pdbqt | data/1A/1AXW-UMP/1AXW-UMP_target.pdbqt | data/1A/1AXW-UMP/1AXW-UMP_decoys.pdbqt | data/1A/1AXW-UMP/1AXW-UMP_decoy_scores.csv |
1AZT-GSP | data/1A/1AZT-GSP/1AZT-GSP_ligand.pdbqt | data/1A/1AZT-GSP/1AZT-GSP_target.pdbqt | data/1A/1AZT-GSP/1AZT-GSP_decoys.pdbqt | data/1A/1AZT-GSP/1AZT-GSP_decoy_scores.csv |
1A26-CNA | data/1A/1A26-CNA/1A26-CNA_ligand.pdbqt | data/1A/1A26-CNA/1A26-CNA_target.pdbqt | data/1A/1A26-CNA/1A26-CNA_decoys.pdbqt | data/1A/1A26-CNA/1A26-CNA_decoy_scores.csv |
1ABJ-0G6 | data/1A/1ABJ-0G6/1ABJ-0G6_ligand.pdbqt | data/1A/1ABJ-0G6/1ABJ-0G6_target.pdbqt | data/1A/1ABJ-0G6/1ABJ-0G6_decoys.pdbqt | data/1A/1ABJ-0G6/1ABJ-0G6_decoy_scores.csv |
1AHH-NAD | data/1A/1AHH-NAD/1AHH-NAD_ligand.pdbqt | data/1A/1AHH-NAD/1AHH-NAD_target.pdbqt | data/1A/1AHH-NAD/1AHH-NAD_decoys.pdbqt | data/1A/1AHH-NAD/1AHH-NAD_decoy_scores.csv |
1A9Y-UPG | data/1A/1A9Y-UPG/1A9Y-UPG_ligand.pdbqt | data/1A/1A9Y-UPG/1A9Y-UPG_target.pdbqt | data/1A/1A9Y-UPG/1A9Y-UPG_decoys.pdbqt | data/1A/1A9Y-UPG/1A9Y-UPG_decoy_scores.csv |
1AF7-SAH | data/1A/1AF7-SAH/1AF7-SAH_ligand.pdbqt | data/1A/1AF7-SAH/1AF7-SAH_target.pdbqt | data/1A/1AF7-SAH/1AF7-SAH_decoys.pdbqt | data/1A/1AF7-SAH/1AF7-SAH_decoy_scores.csv |
1ABF-FCA | data/1A/1ABF-FCA/1ABF-FCA_ligand.pdbqt | data/1A/1ABF-FCA/1ABF-FCA_target.pdbqt | data/1A/1ABF-FCA/1ABF-FCA_decoys.pdbqt | data/1A/1ABF-FCA/1ABF-FCA_decoy_scores.csv |
1AJ2-2PH | data/1A/1AJ2-2PH/1AJ2-2PH_ligand.pdbqt | data/1A/1AJ2-2PH/1AJ2-2PH_target.pdbqt | data/1A/1AJ2-2PH/1AJ2-2PH_decoys.pdbqt | data/1A/1AJ2-2PH/1AJ2-2PH_decoy_scores.csv |
1A4M-PRH | data/1A/1A4M-PRH/1A4M-PRH_ligand.pdbqt | data/1A/1A4M-PRH/1A4M-PRH_target.pdbqt | data/1A/1A4M-PRH/1A4M-PRH_decoys.pdbqt | data/1A/1A4M-PRH/1A4M-PRH_decoy_scores.csv |
1ATK-E64 | data/1A/1ATK-E64/1ATK-E64_ligand.pdbqt | data/1A/1ATK-E64/1ATK-E64_target.pdbqt | data/1A/1ATK-E64/1ATK-E64_decoys.pdbqt | data/1A/1ATK-E64/1ATK-E64_decoy_scores.csv |
1AIJ-LDA | data/1A/1AIJ-LDA/1AIJ-LDA_ligand.pdbqt | data/1A/1AIJ-LDA/1AIJ-LDA_target.pdbqt | data/1A/1AIJ-LDA/1AIJ-LDA_decoys.pdbqt | data/1A/1AIJ-LDA/1AIJ-LDA_decoy_scores.csv |
1AUX-AGS | data/1A/1AUX-AGS/1AUX-AGS_ligand.pdbqt | data/1A/1AUX-AGS/1AUX-AGS_target.pdbqt | data/1A/1AUX-AGS/1AUX-AGS_decoys.pdbqt | data/1A/1AUX-AGS/1AUX-AGS_decoy_scores.csv |
1AFS-TES | data/1A/1AFS-TES/1AFS-TES_ligand.pdbqt | data/1A/1AFS-TES/1AFS-TES_target.pdbqt | data/1A/1AFS-TES/1AFS-TES_decoys.pdbqt | data/1A/1AFS-TES/1AFS-TES_decoy_scores.csv |
1AKC-PPE | data/1A/1AKC-PPE/1AKC-PPE_ligand.pdbqt | data/1A/1AKC-PPE/1AKC-PPE_target.pdbqt | data/1A/1AKC-PPE/1AKC-PPE_decoys.pdbqt | data/1A/1AKC-PPE/1AKC-PPE_decoy_scores.csv |
1A9Y-NAD | data/1A/1A9Y-NAD/1A9Y-NAD_ligand.pdbqt | data/1A/1A9Y-NAD/1A9Y-NAD_target.pdbqt | data/1A/1A9Y-NAD/1A9Y-NAD_decoys.pdbqt | data/1A/1A9Y-NAD/1A9Y-NAD_decoy_scores.csv |
1A95-PCP | data/1A/1A95-PCP/1A95-PCP_ligand.pdbqt | data/1A/1A95-PCP/1A95-PCP_target.pdbqt | null | null |
1AYV-IN6 | data/1A/1AYV-IN6/1AYV-IN6_ligand.pdbqt | data/1A/1AYV-IN6/1AYV-IN6_target.pdbqt | data/1A/1AYV-IN6/1AYV-IN6_decoys.pdbqt | data/1A/1AYV-IN6/1AYV-IN6_decoy_scores.csv |
1ARG-PPD | data/1A/1ARG-PPD/1ARG-PPD_ligand.pdbqt | data/1A/1ARG-PPD/1ARG-PPD_target.pdbqt | data/1A/1ARG-PPD/1ARG-PPD_decoys.pdbqt | data/1A/1ARG-PPD/1ARG-PPD_decoy_scores.csv |
1A3U-THP | data/1A/1A3U-THP/1A3U-THP_ligand.pdbqt | data/1A/1A3U-THP/1A3U-THP_target.pdbqt | data/1A/1A3U-THP/1A3U-THP_decoys.pdbqt | data/1A/1A3U-THP/1A3U-THP_decoy_scores.csv |
1ASE-NOP | data/1A/1ASE-NOP/1ASE-NOP_ligand.pdbqt | data/1A/1ASE-NOP/1ASE-NOP_target.pdbqt | data/1A/1ASE-NOP/1ASE-NOP_decoys.pdbqt | data/1A/1ASE-NOP/1ASE-NOP_decoy_scores.csv |
1ABE-ARA | data/1A/1ABE-ARA/1ABE-ARA_ligand.pdbqt | data/1A/1ABE-ARA/1ABE-ARA_target.pdbqt | data/1A/1ABE-ARA/1ABE-ARA_decoys.pdbqt | data/1A/1ABE-ARA/1ABE-ARA_decoy_scores.csv |
1A54-MDC | data/1A/1A54-MDC/1A54-MDC_ligand.pdbqt | data/1A/1A54-MDC/1A54-MDC_target.pdbqt | data/1A/1A54-MDC/1A54-MDC_decoys.pdbqt | data/1A/1A54-MDC/1A54-MDC_decoy_scores.csv |
1AS0-GSP | data/1A/1AS0-GSP/1AS0-GSP_ligand.pdbqt | data/1A/1AS0-GSP/1AS0-GSP_target.pdbqt | data/1A/1AS0-GSP/1AS0-GSP_decoys.pdbqt | data/1A/1AS0-GSP/1AS0-GSP_decoy_scores.csv |
1AKT-FMN | data/1A/1AKT-FMN/1AKT-FMN_ligand.pdbqt | data/1A/1AKT-FMN/1AKT-FMN_target.pdbqt | data/1A/1AKT-FMN/1AKT-FMN_decoys.pdbqt | data/1A/1AKT-FMN/1AKT-FMN_decoy_scores.csv |
1A0Q-HEP | data/1A/1A0Q-HEP/1A0Q-HEP_ligand.pdbqt | data/1A/1A0Q-HEP/1A0Q-HEP_target.pdbqt | data/1A/1A0Q-HEP/1A0Q-HEP_decoys.pdbqt | data/1A/1A0Q-HEP/1A0Q-HEP_decoy_scores.csv |
1AOB-DDU | data/1A/1AOB-DDU/1AOB-DDU_ligand.pdbqt | data/1A/1AOB-DDU/1AOB-DDU_target.pdbqt | data/1A/1AOB-DDU/1AOB-DDU_decoys.pdbqt | data/1A/1AOB-DDU/1AOB-DDU_decoy_scores.csv |
1AHB-FMP | data/1A/1AHB-FMP/1AHB-FMP_ligand.pdbqt | data/1A/1AHB-FMP/1AHB-FMP_target.pdbqt | data/1A/1AHB-FMP/1AHB-FMP_decoys.pdbqt | data/1A/1AHB-FMP/1AHB-FMP_decoy_scores.csv |
1AMI-MIC | data/1A/1AMI-MIC/1AMI-MIC_ligand.pdbqt | data/1A/1AMI-MIC/1AMI-MIC_target.pdbqt | data/1A/1AMI-MIC/1AMI-MIC_decoys.pdbqt | data/1A/1AMI-MIC/1AMI-MIC_decoy_scores.csv |
1A8R-GTP | data/1A/1A8R-GTP/1A8R-GTP_ligand.pdbqt | data/1A/1A8R-GTP/1A8R-GTP_target.pdbqt | data/1A/1A8R-GTP/1A8R-GTP_decoys.pdbqt | data/1A/1A8R-GTP/1A8R-GTP_decoy_scores.csv |
1A28-STR | data/1A/1A28-STR/1A28-STR_ligand.pdbqt | data/1A/1A28-STR/1A28-STR_target.pdbqt | data/1A/1A28-STR/1A28-STR_decoys.pdbqt | data/1A/1A28-STR/1A28-STR_decoy_scores.csv |
1AHI-CHO | data/1A/1AHI-CHO/1AHI-CHO_ligand.pdbqt | data/1A/1AHI-CHO/1AHI-CHO_target.pdbqt | data/1A/1AHI-CHO/1AHI-CHO_decoys.pdbqt | data/1A/1AHI-CHO/1AHI-CHO_decoy_scores.csv |
1AS3-GDP | data/1A/1AS3-GDP/1AS3-GDP_ligand.pdbqt | data/1A/1AS3-GDP/1AS3-GDP_target.pdbqt | data/1A/1AS3-GDP/1AS3-GDP_decoys.pdbqt | data/1A/1AS3-GDP/1AS3-GDP_decoy_scores.csv |
1APV-XYS | data/1A/1APV-XYS/1APV-XYS_ligand.pdbqt | data/1A/1APV-XYS/1APV-XYS_target.pdbqt | data/1A/1APV-XYS/1APV-XYS_decoys.pdbqt | data/1A/1APV-XYS/1APV-XYS_decoy_scores.csv |
1AZM-AZM | data/1A/1AZM-AZM/1AZM-AZM_ligand.pdbqt | data/1A/1AZM-AZM/1AZM-AZM_target.pdbqt | data/1A/1AZM-AZM/1AZM-AZM_decoys.pdbqt | data/1A/1AZM-AZM/1AZM-AZM_decoy_scores.csv |
1A6W-NIP | data/1A/1A6W-NIP/1A6W-NIP_ligand.pdbqt | data/1A/1A6W-NIP/1A6W-NIP_target.pdbqt | data/1A/1A6W-NIP/1A6W-NIP_decoys.pdbqt | data/1A/1A6W-NIP/1A6W-NIP_decoy_scores.csv |
1AV5-AP2 | data/1A/1AV5-AP2/1AV5-AP2_ligand.pdbqt | data/1A/1AV5-AP2/1AV5-AP2_target.pdbqt | data/1A/1AV5-AP2/1AV5-AP2_decoys.pdbqt | data/1A/1AV5-AP2/1AV5-AP2_decoy_scores.csv |
1A8I-GLS | data/1A/1A8I-GLS/1A8I-GLS_ligand.pdbqt | data/1A/1A8I-GLS/1A8I-GLS_target.pdbqt | data/1A/1A8I-GLS/1A8I-GLS_decoys.pdbqt | data/1A/1A8I-GLS/1A8I-GLS_decoy_scores.csv |
1A82-DNN | data/1A/1A82-DNN/1A82-DNN_ligand.pdbqt | data/1A/1A82-DNN/1A82-DNN_target.pdbqt | data/1A/1A82-DNN/1A82-DNN_decoys.pdbqt | data/1A/1A82-DNN/1A82-DNN_decoy_scores.csv |
1AKB-PPD | data/1A/1AKB-PPD/1AKB-PPD_ligand.pdbqt | data/1A/1AKB-PPD/1AKB-PPD_target.pdbqt | data/1A/1AKB-PPD/1AKB-PPD_decoys.pdbqt | data/1A/1AKB-PPD/1AKB-PPD_decoy_scores.csv |
1AJ0-PH2 | data/1A/1AJ0-PH2/1AJ0-PH2_ligand.pdbqt | data/1A/1AJ0-PH2/1AJ0-PH2_target.pdbqt | data/1A/1AJ0-PH2/1AJ0-PH2_decoys.pdbqt | data/1A/1AJ0-PH2/1AJ0-PH2_decoy_scores.csv |
1ADB-CND | data/1A/1ADB-CND/1ADB-CND_ligand.pdbqt | data/1A/1ADB-CND/1ADB-CND_target.pdbqt | data/1A/1ADB-CND/1ADB-CND_decoys.pdbqt | data/1A/1ADB-CND/1ADB-CND_decoy_scores.csv |
1AUR-PMS | data/1A/1AUR-PMS/1AUR-PMS_ligand.pdbqt | data/1A/1AUR-PMS/1AUR-PMS_target.pdbqt | data/1A/1AUR-PMS/1AUR-PMS_decoys.pdbqt | data/1A/1AUR-PMS/1AUR-PMS_decoy_scores.csv |
1AIM-ZYA | data/1A/1AIM-ZYA/1AIM-ZYA_ligand.pdbqt | data/1A/1AIM-ZYA/1AIM-ZYA_target.pdbqt | data/1A/1AIM-ZYA/1AIM-ZYA_decoys.pdbqt | data/1A/1AIM-ZYA/1AIM-ZYA_decoy_scores.csv |
1AXG-NAD | data/1A/1AXG-NAD/1AXG-NAD_ligand.pdbqt | data/1A/1AXG-NAD/1AXG-NAD_target.pdbqt | data/1A/1AXG-NAD/1AXG-NAD_decoys.pdbqt | data/1A/1AXG-NAD/1AXG-NAD_decoy_scores.csv |
1ANK-ANP | data/1A/1ANK-ANP/1ANK-ANP_ligand.pdbqt | data/1A/1ANK-ANP/1ANK-ANP_target.pdbqt | data/1A/1ANK-ANP/1ANK-ANP_decoys.pdbqt | data/1A/1ANK-ANP/1ANK-ANP_decoy_scores.csv |
1AHG-TYR | data/1A/1AHG-TYR/1AHG-TYR_ligand.pdbqt | data/1A/1AHG-TYR/1AHG-TYR_target.pdbqt | data/1A/1AHG-TYR/1AHG-TYR_decoys.pdbqt | data/1A/1AHG-TYR/1AHG-TYR_decoy_scores.csv |
1AFE-ALZ | data/1A/1AFE-ALZ/1AFE-ALZ_ligand.pdbqt | data/1A/1AFE-ALZ/1AFE-ALZ_target.pdbqt | data/1A/1AFE-ALZ/1AFE-ALZ_decoys.pdbqt | data/1A/1AFE-ALZ/1AFE-ALZ_decoy_scores.csv |
1ALN-CTD | data/1A/1ALN-CTD/1ALN-CTD_ligand.pdbqt | data/1A/1ALN-CTD/1ALN-CTD_target.pdbqt | data/1A/1ALN-CTD/1ALN-CTD_decoys.pdbqt | data/1A/1ALN-CTD/1ALN-CTD_decoy_scores.csv |
1A5Z-FBP | data/1A/1A5Z-FBP/1A5Z-FBP_ligand.pdbqt | data/1A/1A5Z-FBP/1A5Z-FBP_target.pdbqt | data/1A/1A5Z-FBP/1A5Z-FBP_decoys.pdbqt | data/1A/1A5Z-FBP/1A5Z-FBP_decoy_scores.csv |
1AEC-E64 | data/1A/1AEC-E64/1AEC-E64_ligand.pdbqt | data/1A/1AEC-E64/1AEC-E64_target.pdbqt | data/1A/1AEC-E64/1AEC-E64_decoys.pdbqt | data/1A/1AEC-E64/1AEC-E64_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.