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 ⌀ |
|---|---|---|---|---|
3COY-53H | data/3C/3COY-53H/3COY-53H_ligand.pdbqt | data/3C/3COY-53H/3COY-53H_target.pdbqt | data/3C/3COY-53H/3COY-53H_decoys.pdbqt | data/3C/3COY-53H/3COY-53H_decoy_scores.csv |
3CHD-WRG | data/3C/3CHD-WRG/3CHD-WRG_ligand.pdbqt | data/3C/3CHD-WRG/3CHD-WRG_target.pdbqt | data/3C/3CHD-WRG/3CHD-WRG_decoys.pdbqt | data/3C/3CHD-WRG/3CHD-WRG_decoy_scores.csv |
3CUK-4P5 | data/3C/3CUK-4P5/3CUK-4P5_ligand.pdbqt | data/3C/3CUK-4P5/3CUK-4P5_target.pdbqt | data/3C/3CUK-4P5/3CUK-4P5_decoys.pdbqt | data/3C/3CUK-4P5/3CUK-4P5_decoy_scores.csv |
3C61-FMN | data/3C/3C61-FMN/3C61-FMN_ligand.pdbqt | data/3C/3C61-FMN/3C61-FMN_target.pdbqt | data/3C/3C61-FMN/3C61-FMN_decoys.pdbqt | data/3C/3C61-FMN/3C61-FMN_decoy_scores.csv |
3C6M-MTA | data/3C/3C6M-MTA/3C6M-MTA_ligand.pdbqt | data/3C/3C6M-MTA/3C6M-MTA_target.pdbqt | data/3C/3C6M-MTA/3C6M-MTA_decoys.pdbqt | data/3C/3C6M-MTA/3C6M-MTA_decoy_scores.csv |
3CN0-LJ1 | data/3C/3CN0-LJ1/3CN0-LJ1_ligand.pdbqt | data/3C/3CN0-LJ1/3CN0-LJ1_target.pdbqt | data/3C/3CN0-LJ1/3CN0-LJ1_decoys.pdbqt | data/3C/3CN0-LJ1/3CN0-LJ1_decoy_scores.csv |
3CB5-B3P | data/3C/3CB5-B3P/3CB5-B3P_ligand.pdbqt | data/3C/3CB5-B3P/3CB5-B3P_target.pdbqt | data/3C/3CB5-B3P/3CB5-B3P_decoys.pdbqt | data/3C/3CB5-B3P/3CB5-B3P_decoy_scores.csv |
3CS9-NIL | data/3C/3CS9-NIL/3CS9-NIL_ligand.pdbqt | data/3C/3CS9-NIL/3CS9-NIL_target.pdbqt | data/3C/3CS9-NIL/3CS9-NIL_decoys.pdbqt | data/3C/3CS9-NIL/3CS9-NIL_decoy_scores.csv |
3CXO-1N5 | data/3C/3CXO-1N5/3CXO-1N5_ligand.pdbqt | data/3C/3CXO-1N5/3CXO-1N5_target.pdbqt | data/3C/3CXO-1N5/3CXO-1N5_decoys.pdbqt | data/3C/3CXO-1N5/3CXO-1N5_decoy_scores.csv |
3CKV-UDP | data/3C/3CKV-UDP/3CKV-UDP_ligand.pdbqt | data/3C/3CKV-UDP/3CKV-UDP_target.pdbqt | data/3C/3CKV-UDP/3CKV-UDP_decoys.pdbqt | data/3C/3CKV-UDP/3CKV-UDP_decoy_scores.csv |
3CJO-K30 | data/3C/3CJO-K30/3CJO-K30_ligand.pdbqt | data/3C/3CJO-K30/3CJO-K30_target.pdbqt | data/3C/3CJO-K30/3CJO-K30_decoys.pdbqt | data/3C/3CJO-K30/3CJO-K30_decoy_scores.csv |
3COW-52H | data/3C/3COW-52H/3COW-52H_ligand.pdbqt | data/3C/3COW-52H/3COW-52H_target.pdbqt | data/3C/3COW-52H/3COW-52H_decoys.pdbqt | data/3C/3COW-52H/3COW-52H_decoy_scores.csv |
3CTJ-320 | data/3C/3CTJ-320/3CTJ-320_ligand.pdbqt | data/3C/3CTJ-320/3CTJ-320_target.pdbqt | data/3C/3CTJ-320/3CTJ-320_decoys.pdbqt | data/3C/3CTJ-320/3CTJ-320_decoy_scores.csv |
3CID-318 | data/3C/3CID-318/3CID-318_ligand.pdbqt | data/3C/3CID-318/3CID-318_target.pdbqt | data/3C/3CID-318/3CID-318_decoys.pdbqt | data/3C/3CID-318/3CID-318_decoy_scores.csv |
3CHO-4BG | data/3C/3CHO-4BG/3CHO-4BG_ligand.pdbqt | data/3C/3CHO-4BG/3CHO-4BG_target.pdbqt | null | null |
3CPJ-GDP | data/3C/3CPJ-GDP/3CPJ-GDP_ligand.pdbqt | data/3C/3CPJ-GDP/3CPJ-GDP_target.pdbqt | data/3C/3CPJ-GDP/3CPJ-GDP_decoys.pdbqt | data/3C/3CPJ-GDP/3CPJ-GDP_decoy_scores.csv |
3CJR-SFG | data/3C/3CJR-SFG/3CJR-SFG_ligand.pdbqt | data/3C/3CJR-SFG/3CJR-SFG_target.pdbqt | data/3C/3CJR-SFG/3CJR-SFG_decoys.pdbqt | data/3C/3CJR-SFG/3CJR-SFG_decoy_scores.csv |
3CY3-JN5 | data/3C/3CY3-JN5/3CY3-JN5_ligand.pdbqt | data/3C/3CY3-JN5/3CY3-JN5_target.pdbqt | data/3C/3CY3-JN5/3CY3-JN5_decoys.pdbqt | data/3C/3CY3-JN5/3CY3-JN5_decoy_scores.csv |
3CIZ-SX1 | data/3C/3CIZ-SX1/3CIZ-SX1_ligand.pdbqt | data/3C/3CIZ-SX1/3CIZ-SX1_target.pdbqt | data/3C/3CIZ-SX1/3CIZ-SX1_decoys.pdbqt | data/3C/3CIZ-SX1/3CIZ-SX1_decoy_scores.csv |
3CY2-MB9 | data/3C/3CY2-MB9/3CY2-MB9_ligand.pdbqt | data/3C/3CY2-MB9/3CY2-MB9_target.pdbqt | data/3C/3CY2-MB9/3CY2-MB9_decoys.pdbqt | data/3C/3CY2-MB9/3CY2-MB9_decoy_scores.csv |
3CV7-C2U | data/3C/3CV7-C2U/3CV7-C2U_ligand.pdbqt | data/3C/3CV7-C2U/3CV7-C2U_target.pdbqt | data/3C/3CV7-C2U/3CV7-C2U_decoys.pdbqt | data/3C/3CV7-C2U/3CV7-C2U_decoy_scores.csv |
3C59-10M | data/3C/3C59-10M/3C59-10M_ligand.pdbqt | data/3C/3C59-10M/3C59-10M_target.pdbqt | data/3C/3C59-10M/3C59-10M_decoys.pdbqt | data/3C/3C59-10M/3C59-10M_decoy_scores.csv |
3C1Q-PE5 | data/3C/3C1Q-PE5/3C1Q-PE5_ligand.pdbqt | data/3C/3C1Q-PE5/3C1Q-PE5_target.pdbqt | data/3C/3C1Q-PE5/3C1Q-PE5_decoys.pdbqt | data/3C/3C1Q-PE5/3C1Q-PE5_decoy_scores.csv |
3CC9-GRG | data/3C/3CC9-GRG/3CC9-GRG_ligand.pdbqt | data/3C/3CC9-GRG/3CC9-GRG_target.pdbqt | data/3C/3CC9-GRG/3CC9-GRG_decoys.pdbqt | data/3C/3CC9-GRG/3CC9-GRG_decoy_scores.csv |
3C35-KAI | data/3C/3C35-KAI/3C35-KAI_ligand.pdbqt | data/3C/3C35-KAI/3C35-KAI_target.pdbqt | null | null |
3C1I-LDA | data/3C/3C1I-LDA/3C1I-LDA_ligand.pdbqt | data/3C/3C1I-LDA/3C1I-LDA_target.pdbqt | data/3C/3C1I-LDA/3C1I-LDA_decoys.pdbqt | data/3C/3C1I-LDA/3C1I-LDA_decoy_scores.csv |
3CJG-KIM | data/3C/3CJG-KIM/3CJG-KIM_ligand.pdbqt | data/3C/3CJG-KIM/3CJG-KIM_target.pdbqt | data/3C/3CJG-KIM/3CJG-KIM_decoys.pdbqt | data/3C/3CJG-KIM/3CJG-KIM_decoy_scores.csv |
3CQL-NDG | data/3C/3CQL-NDG/3CQL-NDG_ligand.pdbqt | data/3C/3CQL-NDG/3CQL-NDG_target.pdbqt | data/3C/3CQL-NDG/3CQL-NDG_decoys.pdbqt | data/3C/3CQL-NDG/3CQL-NDG_decoy_scores.csv |
3CFD-SPB | data/3C/3CFD-SPB/3CFD-SPB_ligand.pdbqt | data/3C/3CFD-SPB/3CFD-SPB_target.pdbqt | data/3C/3CFD-SPB/3CFD-SPB_decoys.pdbqt | data/3C/3CFD-SPB/3CFD-SPB_decoy_scores.csv |
3C33-KAI | data/3C/3C33-KAI/3C33-KAI_ligand.pdbqt | data/3C/3C33-KAI/3C33-KAI_target.pdbqt | data/3C/3C33-KAI/3C33-KAI_decoys.pdbqt | data/3C/3C33-KAI/3C33-KAI_decoy_scores.csv |
3CIC-316 | data/3C/3CIC-316/3CIC-316_ligand.pdbqt | data/3C/3CIC-316/3CIC-316_target.pdbqt | data/3C/3CIC-316/3CIC-316_decoys.pdbqt | data/3C/3CIC-316/3CIC-316_decoy_scores.csv |
3CD5-7HI | data/3C/3CD5-7HI/3CD5-7HI_ligand.pdbqt | data/3C/3CD5-7HI/3CD5-7HI_target.pdbqt | data/3C/3CD5-7HI/3CD5-7HI_decoys.pdbqt | data/3C/3CD5-7HI/3CD5-7HI_decoy_scores.csv |
3CXO-3LR | data/3C/3CXO-3LR/3CXO-3LR_ligand.pdbqt | data/3C/3CXO-3LR/3CXO-3LR_target.pdbqt | data/3C/3CXO-3LR/3CXO-3LR_decoys.pdbqt | data/3C/3CXO-3LR/3CXO-3LR_decoy_scores.csv |
3CXI-PE4 | data/3C/3CXI-PE4/3CXI-PE4_ligand.pdbqt | data/3C/3CXI-PE4/3CXI-PE4_target.pdbqt | data/3C/3CXI-PE4/3CXI-PE4_decoys.pdbqt | data/3C/3CXI-PE4/3CXI-PE4_decoy_scores.csv |
3C5C-GDP | data/3C/3C5C-GDP/3C5C-GDP_ligand.pdbqt | data/3C/3C5C-GDP/3C5C-GDP_target.pdbqt | data/3C/3C5C-GDP/3C5C-GDP_decoys.pdbqt | data/3C/3C5C-GDP/3C5C-GDP_decoy_scores.csv |
3C5E-ATP | data/3C/3C5E-ATP/3C5E-ATP_ligand.pdbqt | data/3C/3C5E-ATP/3C5E-ATP_target.pdbqt | data/3C/3C5E-ATP/3C5E-ATP_decoys.pdbqt | data/3C/3C5E-ATP/3C5E-ATP_decoy_scores.csv |
3C1K-T15 | data/3C/3C1K-T15/3C1K-T15_ligand.pdbqt | data/3C/3C1K-T15/3C1K-T15_target.pdbqt | data/3C/3C1K-T15/3C1K-T15_decoys.pdbqt | data/3C/3C1K-T15/3C1K-T15_decoy_scores.csv |
3CJT-2MM | data/3C/3CJT-2MM/3CJT-2MM_ligand.pdbqt | data/3C/3CJT-2MM/3CJT-2MM_target.pdbqt | data/3C/3CJT-2MM/3CJT-2MM_decoys.pdbqt | data/3C/3CJT-2MM/3CJT-2MM_decoy_scores.csv |
3CQ3-P6G | data/3C/3CQ3-P6G/3CQ3-P6G_ligand.pdbqt | data/3C/3CQ3-P6G/3CQ3-P6G_target.pdbqt | data/3C/3CQ3-P6G/3CQ3-P6G_decoys.pdbqt | data/3C/3CQ3-P6G/3CQ3-P6G_decoy_scores.csv |
3C3N-FMN | data/3C/3C3N-FMN/3C3N-FMN_ligand.pdbqt | data/3C/3C3N-FMN/3C3N-FMN_target.pdbqt | data/3C/3C3N-FMN/3C3N-FMN_decoys.pdbqt | data/3C/3C3N-FMN/3C3N-FMN_decoy_scores.csv |
3C0O-M6P | data/3C/3C0O-M6P/3C0O-M6P_ligand.pdbqt | data/3C/3C0O-M6P/3C0O-M6P_target.pdbqt | data/3C/3C0O-M6P/3C0O-M6P_decoys.pdbqt | data/3C/3C0O-M6P/3C0O-M6P_decoy_scores.csv |
3COC-RET | data/3C/3COC-RET/3COC-RET_ligand.pdbqt | data/3C/3COC-RET/3COC-RET_target.pdbqt | data/3C/3COC-RET/3COC-RET_decoys.pdbqt | data/3C/3COC-RET/3COC-RET_decoy_scores.csv |
3CR7-PPS | data/3C/3CR7-PPS/3CR7-PPS_ligand.pdbqt | data/3C/3CR7-PPS/3CR7-PPS_target.pdbqt | data/3C/3CR7-PPS/3CR7-PPS_decoys.pdbqt | data/3C/3CR7-PPS/3CR7-PPS_decoy_scores.csv |
3CJA-ANP | data/3C/3CJA-ANP/3CJA-ANP_ligand.pdbqt | data/3C/3CJA-ANP/3CJA-ANP_target.pdbqt | data/3C/3CJA-ANP/3CJA-ANP_decoys.pdbqt | data/3C/3CJA-ANP/3CJA-ANP_decoy_scores.csv |
3CTT-3CU | data/3C/3CTT-3CU/3CTT-3CU_ligand.pdbqt | data/3C/3CTT-3CU/3CTT-3CU_target.pdbqt | data/3C/3CTT-3CU/3CTT-3CU_decoys.pdbqt | data/3C/3CTT-3CU/3CTT-3CU_decoy_scores.csv |
3CN3-LJ4 | data/3C/3CN3-LJ4/3CN3-LJ4_ligand.pdbqt | data/3C/3CN3-LJ4/3CN3-LJ4_target.pdbqt | data/3C/3CN3-LJ4/3CN3-LJ4_decoys.pdbqt | data/3C/3CN3-LJ4/3CN3-LJ4_decoy_scores.csv |
3CAS-ASD | data/3C/3CAS-ASD/3CAS-ASD_ligand.pdbqt | data/3C/3CAS-ASD/3CAS-ASD_target.pdbqt | data/3C/3CAS-ASD/3CAS-ASD_decoys.pdbqt | data/3C/3CAS-ASD/3CAS-ASD_decoy_scores.csv |
3CWH-XUL | data/3C/3CWH-XUL/3CWH-XUL_ligand.pdbqt | data/3C/3CWH-XUL/3CWH-XUL_target.pdbqt | null | null |
3CGD-NAD | data/3C/3CGD-NAD/3CGD-NAD_ligand.pdbqt | data/3C/3CGD-NAD/3CGD-NAD_target.pdbqt | data/3C/3CGD-NAD/3CGD-NAD_decoys.pdbqt | data/3C/3CGD-NAD/3CGD-NAD_decoy_scores.csv |
3CZY-AD8 | data/3C/3CZY-AD8/3CZY-AD8_ligand.pdbqt | data/3C/3CZY-AD8/3CZY-AD8_target.pdbqt | data/3C/3CZY-AD8/3CZY-AD8_decoys.pdbqt | data/3C/3CZY-AD8/3CZY-AD8_decoy_scores.csv |
3CN2-LJ3 | data/3C/3CN2-LJ3/3CN2-LJ3_ligand.pdbqt | data/3C/3CN2-LJ3/3CN2-LJ3_target.pdbqt | data/3C/3CN2-LJ3/3CN2-LJ3_decoys.pdbqt | data/3C/3CN2-LJ3/3CN2-LJ3_decoy_scores.csv |
3C32-KAI | data/3C/3C32-KAI/3C32-KAI_ligand.pdbqt | data/3C/3C32-KAI/3C32-KAI_target.pdbqt | data/3C/3C32-KAI/3C32-KAI_decoys.pdbqt | data/3C/3C32-KAI/3C32-KAI_decoy_scores.csv |
3C0Z-SHH | data/3C/3C0Z-SHH/3C0Z-SHH_ligand.pdbqt | data/3C/3C0Z-SHH/3C0Z-SHH_target.pdbqt | data/3C/3C0Z-SHH/3C0Z-SHH_decoys.pdbqt | data/3C/3C0Z-SHH/3C0Z-SHH_decoy_scores.csv |
3CB2-GDP | data/3C/3CB2-GDP/3CB2-GDP_ligand.pdbqt | data/3C/3CB2-GDP/3CB2-GDP_target.pdbqt | data/3C/3CB2-GDP/3CB2-GDP_decoys.pdbqt | data/3C/3CB2-GDP/3CB2-GDP_decoy_scores.csv |
3CIP-ATP | data/3C/3CIP-ATP/3CIP-ATP_ligand.pdbqt | data/3C/3CIP-ATP/3CIP-ATP_target.pdbqt | data/3C/3CIP-ATP/3CIP-ATP_decoys.pdbqt | data/3C/3CIP-ATP/3CIP-ATP_decoy_scores.csv |
3C1F-THP | data/3C/3C1F-THP/3C1F-THP_ligand.pdbqt | data/3C/3C1F-THP/3C1F-THP_target.pdbqt | data/3C/3C1F-THP/3C1F-THP_decoys.pdbqt | data/3C/3C1F-THP/3C1F-THP_decoy_scores.csv |
3C2O-NTM | data/3C/3C2O-NTM/3C2O-NTM_ligand.pdbqt | data/3C/3C2O-NTM/3C2O-NTM_target.pdbqt | data/3C/3C2O-NTM/3C2O-NTM_decoys.pdbqt | data/3C/3C2O-NTM/3C2O-NTM_decoy_scores.csv |
3CCT-3HI | data/3C/3CCT-3HI/3CCT-3HI_ligand.pdbqt | data/3C/3CCT-3HI/3CCT-3HI_target.pdbqt | data/3C/3CCT-3HI/3CCT-3HI_decoys.pdbqt | data/3C/3CCT-3HI/3CCT-3HI_decoy_scores.csv |
3CJT-SAM | data/3C/3CJT-SAM/3CJT-SAM_ligand.pdbqt | data/3C/3CJT-SAM/3CJT-SAM_target.pdbqt | data/3C/3CJT-SAM/3CJT-SAM_decoys.pdbqt | data/3C/3CJT-SAM/3CJT-SAM_decoy_scores.csv |
3C79-IM4 | data/3C/3C79-IM4/3C79-IM4_ligand.pdbqt | data/3C/3C79-IM4/3C79-IM4_target.pdbqt | data/3C/3C79-IM4/3C79-IM4_decoys.pdbqt | data/3C/3C79-IM4/3C79-IM4_decoy_scores.csv |
3C72-CX1 | data/3C/3C72-CX1/3C72-CX1_ligand.pdbqt | data/3C/3C72-CX1/3C72-CX1_target.pdbqt | data/3C/3C72-CX1/3C72-CX1_decoys.pdbqt | data/3C/3C72-CX1/3C72-CX1_decoy_scores.csv |
3CAJ-EZL | data/3C/3CAJ-EZL/3CAJ-EZL_ligand.pdbqt | data/3C/3CAJ-EZL/3CAJ-EZL_target.pdbqt | data/3C/3CAJ-EZL/3CAJ-EZL_decoys.pdbqt | data/3C/3CAJ-EZL/3CAJ-EZL_decoy_scores.csv |
3COT-STR | data/3C/3COT-STR/3COT-STR_ligand.pdbqt | data/3C/3COT-STR/3COT-STR_target.pdbqt | data/3C/3COT-STR/3COT-STR_decoys.pdbqt | data/3C/3COT-STR/3COT-STR_decoy_scores.csv |
3CQD-ATP | data/3C/3CQD-ATP/3CQD-ATP_ligand.pdbqt | data/3C/3CQD-ATP/3CQD-ATP_target.pdbqt | data/3C/3CQD-ATP/3CQD-ATP_decoys.pdbqt | data/3C/3CQD-ATP/3CQD-ATP_decoy_scores.csv |
3CEM-AVD | data/3C/3CEM-AVD/3CEM-AVD_ligand.pdbqt | data/3C/3CEM-AVD/3CEM-AVD_target.pdbqt | data/3C/3CEM-AVD/3CEM-AVD_decoys.pdbqt | data/3C/3CEM-AVD/3CEM-AVD_decoy_scores.csv |
3CI3-3PO | data/3C/3CI3-3PO/3CI3-3PO_ligand.pdbqt | data/3C/3CI3-3PO/3CI3-3PO_target.pdbqt | data/3C/3CI3-3PO/3CI3-3PO_decoys.pdbqt | data/3C/3CI3-3PO/3CI3-3PO_decoy_scores.csv |
3CYQ-AMU | data/3C/3CYQ-AMU/3CYQ-AMU_ligand.pdbqt | data/3C/3CYQ-AMU/3CYQ-AMU_target.pdbqt | data/3C/3CYQ-AMU/3CYQ-AMU_decoys.pdbqt | data/3C/3CYQ-AMU/3CYQ-AMU_decoy_scores.csv |
3CEN-FXA | data/3C/3CEN-FXA/3CEN-FXA_ligand.pdbqt | data/3C/3CEN-FXA/3CEN-FXA_target.pdbqt | data/3C/3CEN-FXA/3CEN-FXA_decoys.pdbqt | data/3C/3CEN-FXA/3CEN-FXA_decoy_scores.csv |
3CTZ-P6G | data/3C/3CTZ-P6G/3CTZ-P6G_ligand.pdbqt | data/3C/3CTZ-P6G/3CTZ-P6G_target.pdbqt | data/3C/3CTZ-P6G/3CTZ-P6G_decoys.pdbqt | data/3C/3CTZ-P6G/3CTZ-P6G_decoy_scores.csv |
3CJ3-SX4 | data/3C/3CJ3-SX4/3CJ3-SX4_ligand.pdbqt | data/3C/3CJ3-SX4/3CJ3-SX4_target.pdbqt | data/3C/3CJ3-SX4/3CJ3-SX4_decoys.pdbqt | data/3C/3CJ3-SX4/3CJ3-SX4_decoy_scores.csv |
3CUV-475 | data/3C/3CUV-475/3CUV-475_ligand.pdbqt | data/3C/3CUV-475/3CUV-475_target.pdbqt | data/3C/3CUV-475/3CUV-475_decoys.pdbqt | data/3C/3CUV-475/3CUV-475_decoy_scores.csv |
3C9R-ATP | data/3C/3C9R-ATP/3C9R-ATP_ligand.pdbqt | data/3C/3C9R-ATP/3C9R-ATP_target.pdbqt | data/3C/3C9R-ATP/3C9R-ATP_decoys.pdbqt | data/3C/3C9R-ATP/3C9R-ATP_decoy_scores.csv |
3CAV-CI2 | data/3C/3CAV-CI2/3CAV-CI2_ligand.pdbqt | data/3C/3CAV-CI2/3CAV-CI2_target.pdbqt | data/3C/3CAV-CI2/3CAV-CI2_decoys.pdbqt | data/3C/3CAV-CI2/3CAV-CI2_decoy_scores.csv |
3CE6-ADN | data/3C/3CE6-ADN/3CE6-ADN_ligand.pdbqt | data/3C/3CE6-ADN/3CE6-ADN_target.pdbqt | data/3C/3CE6-ADN/3CE6-ADN_decoys.pdbqt | data/3C/3CE6-ADN/3CE6-ADN_decoy_scores.csv |
3CLH-NAD | data/3C/3CLH-NAD/3CLH-NAD_ligand.pdbqt | data/3C/3CLH-NAD/3CLH-NAD_target.pdbqt | data/3C/3CLH-NAD/3CLH-NAD_decoys.pdbqt | data/3C/3CLH-NAD/3CLH-NAD_decoy_scores.csv |
3CZL-GLC | data/3C/3CZL-GLC/3CZL-GLC_ligand.pdbqt | data/3C/3CZL-GLC/3CZL-GLC_target.pdbqt | data/3C/3CZL-GLC/3CZL-GLC_decoys.pdbqt | data/3C/3CZL-GLC/3CZL-GLC_decoy_scores.csv |
3C7Q-XIN | data/3C/3C7Q-XIN/3C7Q-XIN_ligand.pdbqt | data/3C/3C7Q-XIN/3C7Q-XIN_target.pdbqt | data/3C/3C7Q-XIN/3C7Q-XIN_decoys.pdbqt | data/3C/3C7Q-XIN/3C7Q-XIN_decoy_scores.csv |
3CBL-STU | data/3C/3CBL-STU/3CBL-STU_ligand.pdbqt | data/3C/3CBL-STU/3CBL-STU_target.pdbqt | data/3C/3CBL-STU/3CBL-STU_decoys.pdbqt | data/3C/3CBL-STU/3CBL-STU_decoy_scores.csv |
3CHR-4BS | data/3C/3CHR-4BS/3CHR-4BS_ligand.pdbqt | data/3C/3CHR-4BS/3CHR-4BS_target.pdbqt | null | null |
3CH5-GDP | data/3C/3CH5-GDP/3CH5-GDP_ligand.pdbqt | data/3C/3CH5-GDP/3CH5-GDP_target.pdbqt | data/3C/3CH5-GDP/3CH5-GDP_decoys.pdbqt | data/3C/3CH5-GDP/3CH5-GDP_decoy_scores.csv |
3C7A-NAD | data/3C/3C7A-NAD/3C7A-NAD_ligand.pdbqt | data/3C/3C7A-NAD/3C7A-NAD_target.pdbqt | data/3C/3C7A-NAD/3C7A-NAD_decoys.pdbqt | data/3C/3C7A-NAD/3C7A-NAD_decoy_scores.csv |
3CJ4-SX5 | data/3C/3CJ4-SX5/3CJ4-SX5_ligand.pdbqt | data/3C/3CJ4-SX5/3CJ4-SX5_target.pdbqt | data/3C/3CJ4-SX5/3CJ4-SX5_decoys.pdbqt | data/3C/3CJ4-SX5/3CJ4-SX5_decoy_scores.csv |
3CP9-C19 | data/3C/3CP9-C19/3CP9-C19_ligand.pdbqt | data/3C/3CP9-C19/3CP9-C19_target.pdbqt | data/3C/3CP9-C19/3CP9-C19_decoys.pdbqt | data/3C/3CP9-C19/3CP9-C19_decoy_scores.csv |
3CKL-STL | data/3C/3CKL-STL/3CKL-STL_ligand.pdbqt | data/3C/3CKL-STL/3CKL-STL_target.pdbqt | data/3C/3CKL-STL/3CKL-STL_decoys.pdbqt | data/3C/3CKL-STL/3CKL-STL_decoy_scores.csv |
3CNS-SP8 | data/3C/3CNS-SP8/3CNS-SP8_ligand.pdbqt | data/3C/3CNS-SP8/3CNS-SP8_target.pdbqt | data/3C/3CNS-SP8/3CNS-SP8_decoys.pdbqt | data/3C/3CNS-SP8/3CNS-SP8_decoy_scores.csv |
3CIX-CPS | data/3C/3CIX-CPS/3CIX-CPS_ligand.pdbqt | data/3C/3CIX-CPS/3CIX-CPS_target.pdbqt | data/3C/3CIX-CPS/3CIX-CPS_decoys.pdbqt | data/3C/3CIX-CPS/3CIX-CPS_decoy_scores.csv |
3CBS-R12 | data/3C/3CBS-R12/3CBS-R12_ligand.pdbqt | data/3C/3CBS-R12/3CBS-R12_target.pdbqt | data/3C/3CBS-R12/3CBS-R12_decoys.pdbqt | data/3C/3CBS-R12/3CBS-R12_decoy_scores.csv |
3C4J-AGS | data/3C/3C4J-AGS/3C4J-AGS_ligand.pdbqt | data/3C/3C4J-AGS/3C4J-AGS_target.pdbqt | data/3C/3C4J-AGS/3C4J-AGS_decoys.pdbqt | data/3C/3C4J-AGS/3C4J-AGS_decoy_scores.csv |
3CKE-FDF | data/3C/3CKE-FDF/3CKE-FDF_ligand.pdbqt | data/3C/3CKE-FDF/3CKE-FDF_target.pdbqt | data/3C/3CKE-FDF/3CKE-FDF_decoys.pdbqt | data/3C/3CKE-FDF/3CKE-FDF_decoy_scores.csv |
3CE6-NAD | data/3C/3CE6-NAD/3CE6-NAD_ligand.pdbqt | data/3C/3CE6-NAD/3CE6-NAD_target.pdbqt | data/3C/3CE6-NAD/3CE6-NAD_decoys.pdbqt | data/3C/3CE6-NAD/3CE6-NAD_decoy_scores.csv |
3COS-NAD | data/3C/3COS-NAD/3COS-NAD_ligand.pdbqt | data/3C/3COS-NAD/3COS-NAD_target.pdbqt | data/3C/3COS-NAD/3COS-NAD_decoys.pdbqt | data/3C/3COS-NAD/3COS-NAD_decoy_scores.csv |
3C31-KAI | data/3C/3C31-KAI/3C31-KAI_ligand.pdbqt | data/3C/3C31-KAI/3C31-KAI_target.pdbqt | null | null |
3CQU-CQU | data/3C/3CQU-CQU/3CQU-CQU_ligand.pdbqt | data/3C/3CQU-CQU/3CQU-CQU_target.pdbqt | data/3C/3CQU-CQU/3CQU-CQU_decoys.pdbqt | data/3C/3CQU-CQU/3CQU-CQU_decoy_scores.csv |
3CMC-NAD | data/3C/3CMC-NAD/3CMC-NAD_ligand.pdbqt | data/3C/3CMC-NAD/3CMC-NAD_target.pdbqt | data/3C/3CMC-NAD/3CMC-NAD_decoys.pdbqt | data/3C/3CMC-NAD/3CMC-NAD_decoy_scores.csv |
3C52-PGH | data/3C/3C52-PGH/3C52-PGH_ligand.pdbqt | data/3C/3C52-PGH/3C52-PGH_target.pdbqt | data/3C/3C52-PGH/3C52-PGH_decoys.pdbqt | data/3C/3C52-PGH/3C52-PGH_decoy_scores.csv |
3CGG-NHE | data/3C/3CGG-NHE/3CGG-NHE_ligand.pdbqt | data/3C/3CGG-NHE/3CGG-NHE_target.pdbqt | data/3C/3CGG-NHE/3CGG-NHE_decoys.pdbqt | data/3C/3CGG-NHE/3CGG-NHE_decoy_scores.csv |
3CSI-LZ6 | data/3C/3CSI-LZ6/3CSI-LZ6_ligand.pdbqt | data/3C/3CSI-LZ6/3CSI-LZ6_target.pdbqt | data/3C/3CSI-LZ6/3CSI-LZ6_decoys.pdbqt | data/3C/3CSI-LZ6/3CSI-LZ6_decoy_scores.csv |
3C1T-MYC | data/3C/3C1T-MYC/3C1T-MYC_ligand.pdbqt | data/3C/3C1T-MYC/3C1T-MYC_target.pdbqt | data/3C/3C1T-MYC/3C1T-MYC_decoys.pdbqt | data/3C/3C1T-MYC/3C1T-MYC_decoy_scores.csv |
3CJO-ADP | data/3C/3CJO-ADP/3CJO-ADP_ligand.pdbqt | data/3C/3CJO-ADP/3CJO-ADP_target.pdbqt | data/3C/3CJO-ADP/3CJO-ADP_decoys.pdbqt | data/3C/3CJO-ADP/3CJO-ADP_decoy_scores.csv |
3COK-ANP | data/3C/3COK-ANP/3COK-ANP_ligand.pdbqt | data/3C/3COK-ANP/3COK-ANP_target.pdbqt | data/3C/3COK-ANP/3COK-ANP_decoys.pdbqt | data/3C/3COK-ANP/3COK-ANP_decoy_scores.csv |
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