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 ⌀ |
|---|---|---|---|---|
3ILU-GLU | data/3I/3ILU-GLU/3ILU-GLU_ligand.pdbqt | data/3I/3ILU-GLU/3ILU-GLU_target.pdbqt | data/3I/3ILU-GLU/3ILU-GLU_decoys.pdbqt | data/3I/3ILU-GLU/3ILU-GLU_decoy_scores.csv |
3IPX-B86 | data/3I/3IPX-B86/3IPX-B86_ligand.pdbqt | data/3I/3IPX-B86/3IPX-B86_target.pdbqt | data/3I/3IPX-B86/3IPX-B86_decoys.pdbqt | data/3I/3IPX-B86/3IPX-B86_decoy_scores.csv |
3IWK-NAD | data/3I/3IWK-NAD/3IWK-NAD_ligand.pdbqt | data/3I/3IWK-NAD/3IWK-NAD_target.pdbqt | data/3I/3IWK-NAD/3IWK-NAD_decoys.pdbqt | data/3I/3IWK-NAD/3IWK-NAD_decoy_scores.csv |
3INX-JZC | data/3I/3INX-JZC/3INX-JZC_ligand.pdbqt | data/3I/3INX-JZC/3INX-JZC_target.pdbqt | data/3I/3INX-JZC/3INX-JZC_decoys.pdbqt | data/3I/3INX-JZC/3INX-JZC_decoy_scores.csv |
3I6B-KDO | data/3I/3I6B-KDO/3I6B-KDO_ligand.pdbqt | data/3I/3I6B-KDO/3I6B-KDO_target.pdbqt | data/3I/3I6B-KDO/3I6B-KDO_decoys.pdbqt | data/3I/3I6B-KDO/3I6B-KDO_decoy_scores.csv |
3IF7-SPU | data/3I/3IF7-SPU/3IF7-SPU_ligand.pdbqt | data/3I/3IF7-SPU/3IF7-SPU_target.pdbqt | data/3I/3IF7-SPU/3IF7-SPU_decoys.pdbqt | data/3I/3IF7-SPU/3IF7-SPU_decoy_scores.csv |
3IUZ-P6G | data/3I/3IUZ-P6G/3IUZ-P6G_ligand.pdbqt | data/3I/3IUZ-P6G/3IUZ-P6G_target.pdbqt | data/3I/3IUZ-P6G/3IUZ-P6G_decoys.pdbqt | data/3I/3IUZ-P6G/3IUZ-P6G_decoy_scores.csv |
3IOM-GNG | data/3I/3IOM-GNG/3IOM-GNG_ligand.pdbqt | data/3I/3IOM-GNG/3IOM-GNG_target.pdbqt | data/3I/3IOM-GNG/3IOM-GNG_decoys.pdbqt | data/3I/3IOM-GNG/3IOM-GNG_decoy_scores.csv |
3IO3-ADP | data/3I/3IO3-ADP/3IO3-ADP_ligand.pdbqt | data/3I/3IO3-ADP/3IO3-ADP_target.pdbqt | data/3I/3IO3-ADP/3IO3-ADP_decoys.pdbqt | data/3I/3IO3-ADP/3IO3-ADP_decoy_scores.csv |
3IIQ-JZA | data/3I/3IIQ-JZA/3IIQ-JZA_ligand.pdbqt | data/3I/3IIQ-JZA/3IIQ-JZA_target.pdbqt | data/3I/3IIQ-JZA/3IIQ-JZA_decoys.pdbqt | data/3I/3IIQ-JZA/3IIQ-JZA_decoy_scores.csv |
3IEK-FLC | data/3I/3IEK-FLC/3IEK-FLC_ligand.pdbqt | data/3I/3IEK-FLC/3IEK-FLC_target.pdbqt | data/3I/3IEK-FLC/3IEK-FLC_decoys.pdbqt | data/3I/3IEK-FLC/3IEK-FLC_decoy_scores.csv |
3IW5-DF3 | data/3I/3IW5-DF3/3IW5-DF3_ligand.pdbqt | data/3I/3IW5-DF3/3IW5-DF3_target.pdbqt | data/3I/3IW5-DF3/3IW5-DF3_decoys.pdbqt | data/3I/3IW5-DF3/3IW5-DF3_decoy_scores.csv |
3I4A-LN5 | data/3I/3I4A-LN5/3I4A-LN5_ligand.pdbqt | data/3I/3I4A-LN5/3I4A-LN5_target.pdbqt | data/3I/3I4A-LN5/3I4A-LN5_decoys.pdbqt | data/3I/3I4A-LN5/3I4A-LN5_decoy_scores.csv |
3IMK-PG6 | data/3I/3IMK-PG6/3IMK-PG6_ligand.pdbqt | data/3I/3IMK-PG6/3IMK-PG6_target.pdbqt | data/3I/3IMK-PG6/3IMK-PG6_decoys.pdbqt | data/3I/3IMK-PG6/3IMK-PG6_decoy_scores.csv |
3ILU-HFZ | data/3I/3ILU-HFZ/3ILU-HFZ_ligand.pdbqt | data/3I/3ILU-HFZ/3ILU-HFZ_target.pdbqt | data/3I/3ILU-HFZ/3ILU-HFZ_decoys.pdbqt | data/3I/3ILU-HFZ/3ILU-HFZ_decoy_scores.csv |
3I9J-AVV | data/3I/3I9J-AVV/3I9J-AVV_ligand.pdbqt | data/3I/3I9J-AVV/3I9J-AVV_target.pdbqt | data/3I/3I9J-AVV/3I9J-AVV_decoys.pdbqt | data/3I/3I9J-AVV/3I9J-AVV_decoy_scores.csv |
3I7G-732 | data/3I/3I7G-732/3I7G-732_ligand.pdbqt | data/3I/3I7G-732/3I7G-732_target.pdbqt | data/3I/3I7G-732/3I7G-732_decoys.pdbqt | data/3I/3I7G-732/3I7G-732_decoy_scores.csv |
3IOL-10M | data/3I/3IOL-10M/3IOL-10M_ligand.pdbqt | data/3I/3IOL-10M/3IOL-10M_target.pdbqt | data/3I/3IOL-10M/3IOL-10M_decoys.pdbqt | data/3I/3IOL-10M/3IOL-10M_decoy_scores.csv |
3IGP-DT7 | data/3I/3IGP-DT7/3IGP-DT7_ligand.pdbqt | data/3I/3IGP-DT7/3IGP-DT7_target.pdbqt | data/3I/3IGP-DT7/3IGP-DT7_decoys.pdbqt | data/3I/3IGP-DT7/3IGP-DT7_decoy_scores.csv |
3IJL-DGL | data/3I/3IJL-DGL/3IJL-DGL_ligand.pdbqt | data/3I/3IJL-DGL/3IJL-DGL_target.pdbqt | data/3I/3IJL-DGL/3IJL-DGL_decoys.pdbqt | data/3I/3IJL-DGL/3IJL-DGL_decoy_scores.csv |
3ITI-BRV | data/3I/3ITI-BRV/3ITI-BRV_ligand.pdbqt | data/3I/3ITI-BRV/3ITI-BRV_target.pdbqt | data/3I/3ITI-BRV/3ITI-BRV_decoys.pdbqt | data/3I/3ITI-BRV/3ITI-BRV_decoy_scores.csv |
3I1Y-33N | data/3I/3I1Y-33N/3I1Y-33N_ligand.pdbqt | data/3I/3I1Y-33N/3I1Y-33N_target.pdbqt | data/3I/3I1Y-33N/3I1Y-33N_decoys.pdbqt | data/3I/3I1Y-33N/3I1Y-33N_decoy_scores.csv |
3INV-UMP | data/3I/3INV-UMP/3INV-UMP_ligand.pdbqt | data/3I/3INV-UMP/3INV-UMP_target.pdbqt | data/3I/3INV-UMP/3INV-UMP_decoys.pdbqt | data/3I/3INV-UMP/3INV-UMP_decoy_scores.csv |
3ITT-RNS | data/3I/3ITT-RNS/3ITT-RNS_ligand.pdbqt | data/3I/3ITT-RNS/3ITT-RNS_target.pdbqt | data/3I/3ITT-RNS/3ITT-RNS_decoys.pdbqt | data/3I/3ITT-RNS/3ITT-RNS_decoy_scores.csv |
3IX1-NFM | data/3I/3IX1-NFM/3IX1-NFM_ligand.pdbqt | data/3I/3IX1-NFM/3IX1-NFM_target.pdbqt | data/3I/3IX1-NFM/3IX1-NFM_decoys.pdbqt | data/3I/3IX1-NFM/3IX1-NFM_decoy_scores.csv |
3ILJ-APC | data/3I/3ILJ-APC/3ILJ-APC_ligand.pdbqt | data/3I/3ILJ-APC/3ILJ-APC_target.pdbqt | data/3I/3ILJ-APC/3ILJ-APC_decoys.pdbqt | data/3I/3ILJ-APC/3ILJ-APC_decoy_scores.csv |
3IT3-3AM | data/3I/3IT3-3AM/3IT3-3AM_ligand.pdbqt | data/3I/3IT3-3AM/3IT3-3AM_target.pdbqt | data/3I/3IT3-3AM/3IT3-3AM_decoys.pdbqt | data/3I/3IT3-3AM/3IT3-3AM_decoy_scores.csv |
3IDA-DBC | data/3I/3IDA-DBC/3IDA-DBC_ligand.pdbqt | data/3I/3IDA-DBC/3IDA-DBC_target.pdbqt | data/3I/3IDA-DBC/3IDA-DBC_decoys.pdbqt | data/3I/3IDA-DBC/3IDA-DBC_decoy_scores.csv |
3I5N-B2D | data/3I/3I5N-B2D/3I5N-B2D_ligand.pdbqt | data/3I/3I5N-B2D/3I5N-B2D_target.pdbqt | data/3I/3I5N-B2D/3I5N-B2D_decoys.pdbqt | data/3I/3I5N-B2D/3I5N-B2D_decoy_scores.csv |
3IL1-B5D | data/3I/3IL1-B5D/3IL1-B5D_ligand.pdbqt | data/3I/3IL1-B5D/3IL1-B5D_target.pdbqt | data/3I/3IL1-B5D/3IL1-B5D_decoys.pdbqt | data/3I/3IL1-B5D/3IL1-B5D_decoy_scores.csv |
3IIQ-TRT | data/3I/3IIQ-TRT/3IIQ-TRT_ligand.pdbqt | data/3I/3IIQ-TRT/3IIQ-TRT_target.pdbqt | data/3I/3IIQ-TRT/3IIQ-TRT_decoys.pdbqt | data/3I/3IIQ-TRT/3IIQ-TRT_decoy_scores.csv |
3IPT-EQU | data/3I/3IPT-EQU/3IPT-EQU_ligand.pdbqt | data/3I/3IPT-EQU/3IPT-EQU_target.pdbqt | data/3I/3IPT-EQU/3IPT-EQU_decoys.pdbqt | data/3I/3IPT-EQU/3IPT-EQU_decoy_scores.csv |
3IW7-IPK | data/3I/3IW7-IPK/3IW7-IPK_ligand.pdbqt | data/3I/3IW7-IPK/3IW7-IPK_target.pdbqt | data/3I/3IW7-IPK/3IW7-IPK_decoys.pdbqt | data/3I/3IW7-IPK/3IW7-IPK_decoy_scores.csv |
3II1-BGC | data/3I/3II1-BGC/3II1-BGC_ligand.pdbqt | data/3I/3II1-BGC/3II1-BGC_target.pdbqt | data/3I/3II1-BGC/3II1-BGC_decoys.pdbqt | data/3I/3II1-BGC/3II1-BGC_decoy_scores.csv |
3I4D-UQ1 | data/3I/3I4D-UQ1/3I4D-UQ1_ligand.pdbqt | data/3I/3I4D-UQ1/3I4D-UQ1_target.pdbqt | data/3I/3I4D-UQ1/3I4D-UQ1_decoys.pdbqt | data/3I/3I4D-UQ1/3I4D-UQ1_decoy_scores.csv |
3I52-KXN | data/3I/3I52-KXN/3I52-KXN_ligand.pdbqt | data/3I/3I52-KXN/3I52-KXN_target.pdbqt | data/3I/3I52-KXN/3I52-KXN_decoys.pdbqt | data/3I/3I52-KXN/3I52-KXN_decoy_scores.csv |
3IIZ-CPS | data/3I/3IIZ-CPS/3IIZ-CPS_ligand.pdbqt | data/3I/3IIZ-CPS/3IIZ-CPS_target.pdbqt | data/3I/3IIZ-CPS/3IIZ-CPS_decoys.pdbqt | data/3I/3IIZ-CPS/3IIZ-CPS_decoy_scores.csv |
3IW1-ASD | data/3I/3IW1-ASD/3IW1-ASD_ligand.pdbqt | data/3I/3IW1-ASD/3IW1-ASD_target.pdbqt | data/3I/3IW1-ASD/3IW1-ASD_decoys.pdbqt | data/3I/3IW1-ASD/3IW1-ASD_decoy_scores.csv |
3I6O-GR6 | data/3I/3I6O-GR6/3I6O-GR6_ligand.pdbqt | data/3I/3I6O-GR6/3I6O-GR6_target.pdbqt | data/3I/3I6O-GR6/3I6O-GR6_decoys.pdbqt | data/3I/3I6O-GR6/3I6O-GR6_decoy_scores.csv |
3IJZ-15C | data/3I/3IJZ-15C/3IJZ-15C_ligand.pdbqt | data/3I/3IJZ-15C/3IJZ-15C_target.pdbqt | data/3I/3IJZ-15C/3IJZ-15C_decoys.pdbqt | data/3I/3IJZ-15C/3IJZ-15C_decoy_scores.csv |
3IMC-BZ3 | data/3I/3IMC-BZ3/3IMC-BZ3_ligand.pdbqt | data/3I/3IMC-BZ3/3IMC-BZ3_target.pdbqt | data/3I/3IMC-BZ3/3IMC-BZ3_decoys.pdbqt | data/3I/3IMC-BZ3/3IMC-BZ3_decoy_scores.csv |
3IJO-GLU | data/3I/3IJO-GLU/3IJO-GLU_ligand.pdbqt | data/3I/3IJO-GLU/3IJO-GLU_target.pdbqt | data/3I/3IJO-GLU/3IJO-GLU_decoys.pdbqt | data/3I/3IJO-GLU/3IJO-GLU_decoy_scores.csv |
3IID-APR | data/3I/3IID-APR/3IID-APR_ligand.pdbqt | data/3I/3IID-APR/3IID-APR_target.pdbqt | data/3I/3IID-APR/3IID-APR_decoys.pdbqt | data/3I/3IID-APR/3IID-APR_decoy_scores.csv |
3IED-AN2 | data/3I/3IED-AN2/3IED-AN2_ligand.pdbqt | data/3I/3IED-AN2/3IED-AN2_target.pdbqt | data/3I/3IED-AN2/3IED-AN2_decoys.pdbqt | data/3I/3IED-AN2/3IED-AN2_decoy_scores.csv |
3IIZ-SAM | data/3I/3IIZ-SAM/3IIZ-SAM_ligand.pdbqt | data/3I/3IIZ-SAM/3IIZ-SAM_target.pdbqt | data/3I/3IIZ-SAM/3IIZ-SAM_decoys.pdbqt | data/3I/3IIZ-SAM/3IIZ-SAM_decoy_scores.csv |
3I8X-GDP | data/3I/3I8X-GDP/3I8X-GDP_ligand.pdbqt | data/3I/3I8X-GDP/3I8X-GDP_target.pdbqt | data/3I/3I8X-GDP/3I8X-GDP_decoys.pdbqt | data/3I/3I8X-GDP/3I8X-GDP_decoy_scores.csv |
3INE-X17 | data/3I/3INE-X17/3INE-X17_ligand.pdbqt | data/3I/3INE-X17/3INE-X17_target.pdbqt | data/3I/3INE-X17/3INE-X17_decoys.pdbqt | data/3I/3INE-X17/3INE-X17_decoy_scores.csv |
3IJO-B4D | data/3I/3IJO-B4D/3IJO-B4D_ligand.pdbqt | data/3I/3IJO-B4D/3IJO-B4D_target.pdbqt | data/3I/3IJO-B4D/3IJO-B4D_decoys.pdbqt | data/3I/3IJO-B4D/3IJO-B4D_decoy_scores.csv |
3IPU-O40 | data/3I/3IPU-O40/3IPU-O40_ligand.pdbqt | data/3I/3IPU-O40/3IPU-O40_target.pdbqt | data/3I/3IPU-O40/3IPU-O40_decoys.pdbqt | data/3I/3IPU-O40/3IPU-O40_decoy_scores.csv |
3IQ0-ATP | data/3I/3IQ0-ATP/3IQ0-ATP_ligand.pdbqt | data/3I/3IQ0-ATP/3IQ0-ATP_target.pdbqt | data/3I/3IQ0-ATP/3IQ0-ATP_decoys.pdbqt | data/3I/3IQ0-ATP/3IQ0-ATP_decoy_scores.csv |
3IQV-FSC | data/3I/3IQV-FSC/3IQV-FSC_ligand.pdbqt | data/3I/3IQV-FSC/3IQV-FSC_target.pdbqt | data/3I/3IQV-FSC/3IQV-FSC_decoys.pdbqt | data/3I/3IQV-FSC/3IQV-FSC_decoy_scores.csv |
3IQ3-PE4 | data/3I/3IQ3-PE4/3IQ3-PE4_ligand.pdbqt | data/3I/3IQ3-PE4/3IQ3-PE4_target.pdbqt | data/3I/3IQ3-PE4/3IQ3-PE4_decoys.pdbqt | data/3I/3IQ3-PE4/3IQ3-PE4_decoy_scores.csv |
3IPK-PMS | data/3I/3IPK-PMS/3IPK-PMS_ligand.pdbqt | data/3I/3IPK-PMS/3IPK-PMS_target.pdbqt | data/3I/3IPK-PMS/3IPK-PMS_decoys.pdbqt | data/3I/3IPK-PMS/3IPK-PMS_decoy_scores.csv |
3I2H-DBC | data/3I/3I2H-DBC/3I2H-DBC_ligand.pdbqt | data/3I/3I2H-DBC/3I2H-DBC_target.pdbqt | data/3I/3I2H-DBC/3I2H-DBC_decoys.pdbqt | data/3I/3I2H-DBC/3I2H-DBC_decoy_scores.csv |
3IQ7-5ID | data/3I/3IQ7-5ID/3IQ7-5ID_ligand.pdbqt | data/3I/3IQ7-5ID/3IQ7-5ID_target.pdbqt | data/3I/3IQ7-5ID/3IQ7-5ID_decoys.pdbqt | data/3I/3IQ7-5ID/3IQ7-5ID_decoy_scores.csv |
3I71-FLC | data/3I/3I71-FLC/3I71-FLC_ligand.pdbqt | data/3I/3I71-FLC/3I71-FLC_target.pdbqt | data/3I/3I71-FLC/3I71-FLC_decoys.pdbqt | data/3I/3I71-FLC/3I71-FLC_decoy_scores.csv |
3I8A-N22 | data/3I/3I8A-N22/3I8A-N22_ligand.pdbqt | data/3I/3I8A-N22/3I8A-N22_target.pdbqt | data/3I/3I8A-N22/3I8A-N22_decoys.pdbqt | data/3I/3I8A-N22/3I8A-N22_decoy_scores.csv |
3II4-3II | data/3I/3II4-3II/3II4-3II_ligand.pdbqt | data/3I/3II4-3II/3II4-3II_target.pdbqt | data/3I/3II4-3II/3II4-3II_decoys.pdbqt | data/3I/3II4-3II/3II4-3II_decoy_scores.csv |
3I4Y-35C | data/3I/3I4Y-35C/3I4Y-35C_ligand.pdbqt | data/3I/3I4Y-35C/3I4Y-35C_target.pdbqt | data/3I/3I4Y-35C/3I4Y-35C_decoys.pdbqt | data/3I/3I4Y-35C/3I4Y-35C_decoy_scores.csv |
3IRH-DTP | data/3I/3IRH-DTP/3IRH-DTP_ligand.pdbqt | data/3I/3IRH-DTP/3IRH-DTP_target.pdbqt | data/3I/3IRH-DTP/3IRH-DTP_decoys.pdbqt | data/3I/3IRH-DTP/3IRH-DTP_decoy_scores.csv |
3ITL-LRH | data/3I/3ITL-LRH/3ITL-LRH_ligand.pdbqt | data/3I/3ITL-LRH/3ITL-LRH_target.pdbqt | data/3I/3ITL-LRH/3ITL-LRH_decoys.pdbqt | data/3I/3ITL-LRH/3ITL-LRH_decoy_scores.csv |
3IPO-PE4 | data/3I/3IPO-PE4/3IPO-PE4_ligand.pdbqt | data/3I/3IPO-PE4/3IPO-PE4_target.pdbqt | data/3I/3IPO-PE4/3IPO-PE4_decoys.pdbqt | data/3I/3IPO-PE4/3IPO-PE4_decoy_scores.csv |
3IET-A2G | data/3I/3IET-A2G/3IET-A2G_ligand.pdbqt | data/3I/3IET-A2G/3IET-A2G_target.pdbqt | data/3I/3IET-A2G/3IET-A2G_decoys.pdbqt | data/3I/3IET-A2G/3IET-A2G_decoy_scores.csv |
3IJQ-DGL | data/3I/3IJQ-DGL/3IJQ-DGL_ligand.pdbqt | data/3I/3IJQ-DGL/3IJQ-DGL_target.pdbqt | data/3I/3IJQ-DGL/3IJQ-DGL_decoys.pdbqt | data/3I/3IJQ-DGL/3IJQ-DGL_decoy_scores.csv |
3I65-LDA | data/3I/3I65-LDA/3I65-LDA_ligand.pdbqt | data/3I/3I65-LDA/3I65-LDA_target.pdbqt | data/3I/3I65-LDA/3I65-LDA_decoys.pdbqt | data/3I/3I65-LDA/3I65-LDA_decoy_scores.csv |
3I68-J4Z | data/3I/3I68-J4Z/3I68-J4Z_ligand.pdbqt | data/3I/3I68-J4Z/3I68-J4Z_target.pdbqt | data/3I/3I68-J4Z/3I68-J4Z_decoys.pdbqt | data/3I/3I68-J4Z/3I68-J4Z_decoy_scores.csv |
3IVC-FG4 | data/3I/3IVC-FG4/3IVC-FG4_ligand.pdbqt | data/3I/3IVC-FG4/3IVC-FG4_target.pdbqt | data/3I/3IVC-FG4/3IVC-FG4_decoys.pdbqt | data/3I/3IVC-FG4/3IVC-FG4_decoy_scores.csv |
3IM0-BDP | data/3I/3IM0-BDP/3IM0-BDP_ligand.pdbqt | data/3I/3IM0-BDP/3IM0-BDP_target.pdbqt | data/3I/3IM0-BDP/3IM0-BDP_decoys.pdbqt | data/3I/3IM0-BDP/3IM0-BDP_decoy_scores.csv |
3IFC-P6P | data/3I/3IFC-P6P/3IFC-P6P_ligand.pdbqt | data/3I/3IFC-P6P/3IFC-P6P_target.pdbqt | data/3I/3IFC-P6P/3IFC-P6P_decoys.pdbqt | data/3I/3IFC-P6P/3IFC-P6P_decoy_scores.csv |
3I4X-TRP | data/3I/3I4X-TRP/3I4X-TRP_ligand.pdbqt | data/3I/3I4X-TRP/3I4X-TRP_target.pdbqt | data/3I/3I4X-TRP/3I4X-TRP_decoys.pdbqt | data/3I/3I4X-TRP/3I4X-TRP_decoy_scores.csv |
3IBA-ZOL | data/3I/3IBA-ZOL/3IBA-ZOL_ligand.pdbqt | data/3I/3IBA-ZOL/3IBA-ZOL_target.pdbqt | data/3I/3IBA-ZOL/3IBA-ZOL_decoys.pdbqt | data/3I/3IBA-ZOL/3IBA-ZOL_decoy_scores.csv |
3INL-BXB | data/3I/3INL-BXB/3INL-BXB_ligand.pdbqt | data/3I/3INL-BXB/3INL-BXB_target.pdbqt | data/3I/3INL-BXB/3INL-BXB_decoys.pdbqt | data/3I/3INL-BXB/3INL-BXB_decoy_scores.csv |
3IFC-AMP | data/3I/3IFC-AMP/3IFC-AMP_ligand.pdbqt | data/3I/3IFC-AMP/3IFC-AMP_target.pdbqt | data/3I/3IFC-AMP/3IFC-AMP_decoys.pdbqt | data/3I/3IFC-AMP/3IFC-AMP_decoy_scores.csv |
3IP0-APC | data/3I/3IP0-APC/3IP0-APC_ligand.pdbqt | data/3I/3IP0-APC/3IP0-APC_target.pdbqt | data/3I/3IP0-APC/3IP0-APC_decoys.pdbqt | data/3I/3IP0-APC/3IP0-APC_decoy_scores.csv |
3IS4-PTK | data/3I/3IS4-PTK/3IS4-PTK_ligand.pdbqt | data/3I/3IS4-PTK/3IS4-PTK_target.pdbqt | data/3I/3IS4-PTK/3IS4-PTK_decoys.pdbqt | data/3I/3IS4-PTK/3IS4-PTK_decoy_scores.csv |
3IBD-CPZ | data/3I/3IBD-CPZ/3IBD-CPZ_ligand.pdbqt | data/3I/3IBD-CPZ/3IBD-CPZ_target.pdbqt | data/3I/3IBD-CPZ/3IBD-CPZ_decoys.pdbqt | data/3I/3IBD-CPZ/3IBD-CPZ_decoy_scores.csv |
3I0O-ADP | data/3I/3I0O-ADP/3I0O-ADP_ligand.pdbqt | data/3I/3I0O-ADP/3I0O-ADP_target.pdbqt | data/3I/3I0O-ADP/3I0O-ADP_decoys.pdbqt | data/3I/3I0O-ADP/3I0O-ADP_decoy_scores.csv |
3ITV-PSJ | data/3I/3ITV-PSJ/3ITV-PSJ_ligand.pdbqt | data/3I/3ITV-PSJ/3ITV-PSJ_target.pdbqt | data/3I/3ITV-PSJ/3ITV-PSJ_decoys.pdbqt | data/3I/3ITV-PSJ/3ITV-PSJ_decoy_scores.csv |
3I4D-SPO | data/3I/3I4D-SPO/3I4D-SPO_ligand.pdbqt | data/3I/3I4D-SPO/3I4D-SPO_target.pdbqt | data/3I/3I4D-SPO/3I4D-SPO_decoys.pdbqt | data/3I/3I4D-SPO/3I4D-SPO_decoy_scores.csv |
3IN4-BX2 | data/3I/3IN4-BX2/3IN4-BX2_ligand.pdbqt | data/3I/3IN4-BX2/3IN4-BX2_target.pdbqt | data/3I/3IN4-BX2/3IN4-BX2_decoys.pdbqt | data/3I/3IN4-BX2/3IN4-BX2_decoy_scores.csv |
3ITP-THP | data/3I/3ITP-THP/3ITP-THP_ligand.pdbqt | data/3I/3ITP-THP/3ITP-THP_target.pdbqt | data/3I/3ITP-THP/3ITP-THP_decoys.pdbqt | data/3I/3ITP-THP/3ITP-THP_decoy_scores.csv |
3IH0-ANP | data/3I/3IH0-ANP/3IH0-ANP_ligand.pdbqt | data/3I/3IH0-ANP/3IH0-ANP_target.pdbqt | data/3I/3IH0-ANP/3IH0-ANP_decoys.pdbqt | data/3I/3IH0-ANP/3IH0-ANP_decoy_scores.csv |
3ION-8H1 | data/3I/3ION-8H1/3ION-8H1_ligand.pdbqt | data/3I/3ION-8H1/3ION-8H1_target.pdbqt | data/3I/3ION-8H1/3ION-8H1_decoys.pdbqt | data/3I/3ION-8H1/3ION-8H1_decoy_scores.csv |
3I6R-FMN | data/3I/3I6R-FMN/3I6R-FMN_ligand.pdbqt | data/3I/3I6R-FMN/3I6R-FMN_target.pdbqt | data/3I/3I6R-FMN/3I6R-FMN_decoys.pdbqt | data/3I/3I6R-FMN/3I6R-FMN_decoy_scores.csv |
3ID8-MRK | data/3I/3ID8-MRK/3ID8-MRK_ligand.pdbqt | data/3I/3ID8-MRK/3ID8-MRK_target.pdbqt | data/3I/3ID8-MRK/3ID8-MRK_decoys.pdbqt | data/3I/3ID8-MRK/3ID8-MRK_decoy_scores.csv |
3IMU-IW4 | data/3I/3IMU-IW4/3IMU-IW4_ligand.pdbqt | data/3I/3IMU-IW4/3IMU-IW4_target.pdbqt | data/3I/3IMU-IW4/3IMU-IW4_decoys.pdbqt | data/3I/3IMU-IW4/3IMU-IW4_decoy_scores.csv |
3I4D-HT3 | data/3I/3I4D-HT3/3I4D-HT3_ligand.pdbqt | data/3I/3I4D-HT3/3I4D-HT3_target.pdbqt | data/3I/3I4D-HT3/3I4D-HT3_decoys.pdbqt | data/3I/3I4D-HT3/3I4D-HT3_decoy_scores.csv |
3IEL-U5P | data/3I/3IEL-U5P/3IEL-U5P_ligand.pdbqt | data/3I/3IEL-U5P/3IEL-U5P_target.pdbqt | data/3I/3IEL-U5P/3IEL-U5P_decoys.pdbqt | data/3I/3IEL-U5P/3IEL-U5P_decoy_scores.csv |
3I28-34N | data/3I/3I28-34N/3I28-34N_ligand.pdbqt | data/3I/3I28-34N/3I28-34N_target.pdbqt | data/3I/3I28-34N/3I28-34N_decoys.pdbqt | data/3I/3I28-34N/3I28-34N_decoy_scores.csv |
3I93-DUP | data/3I/3I93-DUP/3I93-DUP_ligand.pdbqt | data/3I/3I93-DUP/3I93-DUP_target.pdbqt | data/3I/3I93-DUP/3I93-DUP_decoys.pdbqt | data/3I/3I93-DUP/3I93-DUP_decoy_scores.csv |
3IPH-G11 | data/3I/3IPH-G11/3IPH-G11_ligand.pdbqt | data/3I/3IPH-G11/3IPH-G11_target.pdbqt | data/3I/3IPH-G11/3IPH-G11_decoys.pdbqt | data/3I/3IPH-G11/3IPH-G11_decoy_scores.csv |
3IRH-DGT | data/3I/3IRH-DGT/3IRH-DGT_ligand.pdbqt | data/3I/3IRH-DGT/3IRH-DGT_target.pdbqt | data/3I/3IRH-DGT/3IRH-DGT_decoys.pdbqt | data/3I/3IRH-DGT/3IRH-DGT_decoy_scores.csv |
3I59-N6S | data/3I/3I59-N6S/3I59-N6S_ligand.pdbqt | data/3I/3I59-N6S/3I59-N6S_target.pdbqt | data/3I/3I59-N6S/3I59-N6S_decoys.pdbqt | data/3I/3I59-N6S/3I59-N6S_decoy_scores.csv |
3ILO-PH2 | data/3I/3ILO-PH2/3ILO-PH2_ligand.pdbqt | data/3I/3ILO-PH2/3ILO-PH2_target.pdbqt | data/3I/3ILO-PH2/3ILO-PH2_decoys.pdbqt | data/3I/3ILO-PH2/3ILO-PH2_decoy_scores.csv |
3IK7-BOB | data/3I/3IK7-BOB/3IK7-BOB_ligand.pdbqt | data/3I/3IK7-BOB/3IK7-BOB_target.pdbqt | data/3I/3IK7-BOB/3IK7-BOB_decoys.pdbqt | data/3I/3IK7-BOB/3IK7-BOB_decoy_scores.csv |
3I6R-ORO | data/3I/3I6R-ORO/3I6R-ORO_ligand.pdbqt | data/3I/3I6R-ORO/3I6R-ORO_target.pdbqt | data/3I/3I6R-ORO/3I6R-ORO_decoys.pdbqt | data/3I/3I6R-ORO/3I6R-ORO_decoy_scores.csv |
3IMX-B84 | data/3I/3IMX-B84/3IMX-B84_ligand.pdbqt | data/3I/3IMX-B84/3IMX-B84_target.pdbqt | data/3I/3IMX-B84/3IMX-B84_decoys.pdbqt | data/3I/3IMX-B84/3IMX-B84_decoy_scores.csv |
3IJI-DGL | data/3I/3IJI-DGL/3IJI-DGL_ligand.pdbqt | data/3I/3IJI-DGL/3IJI-DGL_target.pdbqt | data/3I/3IJI-DGL/3IJI-DGL_decoys.pdbqt | data/3I/3IJI-DGL/3IJI-DGL_decoy_scores.csv |
3IIX-5AD | data/3I/3IIX-5AD/3IIX-5AD_ligand.pdbqt | data/3I/3IIX-5AD/3IIX-5AD_target.pdbqt | data/3I/3IIX-5AD/3IIX-5AD_decoys.pdbqt | data/3I/3IIX-5AD/3IIX-5AD_decoy_scores.csv |
3ISN-EDM | data/3I/3ISN-EDM/3ISN-EDM_ligand.pdbqt | data/3I/3ISN-EDM/3ISN-EDM_target.pdbqt | data/3I/3ISN-EDM/3ISN-EDM_decoys.pdbqt | data/3I/3ISN-EDM/3ISN-EDM_decoy_scores.csv |
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