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 ⌀ |
|---|---|---|---|---|
5ST7-V29 | data/5S/5ST7-V29/5ST7-V29_ligand.pdbqt | data/5S/5ST7-V29/5ST7-V29_target.pdbqt | data/5S/5ST7-V29/5ST7-V29_decoys.pdbqt | data/5S/5ST7-V29/5ST7-V29_decoy_scores.csv |
5SB6-ACP | data/5S/5SB6-ACP/5SB6-ACP_ligand.pdbqt | data/5S/5SB6-ACP/5SB6-ACP_target.pdbqt | data/5S/5SB6-ACP/5SB6-ACP_decoys.pdbqt | data/5S/5SB6-ACP/5SB6-ACP_decoy_scores.csv |
5SBB-ACP | data/5S/5SBB-ACP/5SBB-ACP_ligand.pdbqt | data/5S/5SBB-ACP/5SBB-ACP_target.pdbqt | data/5S/5SBB-ACP/5SBB-ACP_decoys.pdbqt | data/5S/5SBB-ACP/5SBB-ACP_decoy_scores.csv |
5S9J-3M0 | data/5S/5S9J-3M0/5S9J-3M0_ligand.pdbqt | data/5S/5S9J-3M0/5S9J-3M0_target.pdbqt | data/5S/5S9J-3M0/5S9J-3M0_decoys.pdbqt | data/5S/5S9J-3M0/5S9J-3M0_decoy_scores.csv |
5SIU-JT9 | data/5S/5SIU-JT9/5SIU-JT9_ligand.pdbqt | data/5S/5SIU-JT9/5SIU-JT9_target.pdbqt | data/5S/5SIU-JT9/5SIU-JT9_decoys.pdbqt | data/5S/5SIU-JT9/5SIU-JT9_decoy_scores.csv |
5S5A-GDP | data/5S/5S5A-GDP/5S5A-GDP_ligand.pdbqt | data/5S/5S5A-GDP/5S5A-GDP_target.pdbqt | data/5S/5S5A-GDP/5S5A-GDP_decoys.pdbqt | data/5S/5S5A-GDP/5S5A-GDP_decoy_scores.csv |
5SFH-IKO | data/5S/5SFH-IKO/5SFH-IKO_ligand.pdbqt | data/5S/5SFH-IKO/5SFH-IKO_target.pdbqt | data/5S/5SFH-IKO/5SFH-IKO_decoys.pdbqt | data/5S/5SFH-IKO/5SFH-IKO_decoy_scores.csv |
5SUN-70Q | data/5S/5SUN-70Q/5SUN-70Q_ligand.pdbqt | data/5S/5SUN-70Q/5SUN-70Q_target.pdbqt | data/5S/5SUN-70Q/5SUN-70Q_decoys.pdbqt | data/5S/5SUN-70Q/5SUN-70Q_decoy_scores.csv |
5SG8-IW9 | data/5S/5SG8-IW9/5SG8-IW9_ligand.pdbqt | data/5S/5SG8-IW9/5SG8-IW9_target.pdbqt | data/5S/5SG8-IW9/5SG8-IW9_decoys.pdbqt | data/5S/5SG8-IW9/5SG8-IW9_decoy_scores.csv |
5SED-IEU | data/5S/5SED-IEU/5SED-IEU_ligand.pdbqt | data/5S/5SED-IEU/5SED-IEU_target.pdbqt | data/5S/5SED-IEU/5SED-IEU_decoys.pdbqt | data/5S/5SED-IEU/5SED-IEU_decoy_scores.csv |
5SFZ-IV0 | data/5S/5SFZ-IV0/5SFZ-IV0_ligand.pdbqt | data/5S/5SFZ-IV0/5SFZ-IV0_target.pdbqt | data/5S/5SFZ-IV0/5SFZ-IV0_decoys.pdbqt | data/5S/5SFZ-IV0/5SFZ-IV0_decoy_scores.csv |
5S3G-JHS | data/5S/5S3G-JHS/5S3G-JHS_ligand.pdbqt | data/5S/5S3G-JHS/5S3G-JHS_target.pdbqt | data/5S/5S3G-JHS/5S3G-JHS_decoys.pdbqt | data/5S/5S3G-JHS/5S3G-JHS_decoy_scores.csv |
5SM2-LQ3 | data/5S/5SM2-LQ3/5SM2-LQ3_ligand.pdbqt | data/5S/5SM2-LQ3/5SM2-LQ3_target.pdbqt | data/5S/5SM2-LQ3/5SM2-LQ3_decoys.pdbqt | data/5S/5SM2-LQ3/5SM2-LQ3_decoy_scores.csv |
5SBO-8A5 | data/5S/5SBO-8A5/5SBO-8A5_ligand.pdbqt | data/5S/5SBO-8A5/5SBO-8A5_target.pdbqt | data/5S/5SBO-8A5/5SBO-8A5_decoys.pdbqt | data/5S/5SBO-8A5/5SBO-8A5_decoy_scores.csv |
5SUW-70G | data/5S/5SUW-70G/5SUW-70G_ligand.pdbqt | data/5S/5SUW-70G/5SUW-70G_target.pdbqt | data/5S/5SUW-70G/5SUW-70G_decoys.pdbqt | data/5S/5SUW-70G/5SUW-70G_decoy_scores.csv |
5SJT-K5F | data/5S/5SJT-K5F/5SJT-K5F_ligand.pdbqt | data/5S/5SJT-K5F/5SJT-K5F_target.pdbqt | data/5S/5SJT-K5F/5SJT-K5F_decoys.pdbqt | data/5S/5SJT-K5F/5SJT-K5F_decoy_scores.csv |
5SE7-IE7 | data/5S/5SE7-IE7/5SE7-IE7_ligand.pdbqt | data/5S/5SE7-IE7/5SE7-IE7_target.pdbqt | data/5S/5SE7-IE7/5SE7-IE7_decoys.pdbqt | data/5S/5SE7-IE7/5SE7-IE7_decoy_scores.csv |
5SBY-8BI | data/5S/5SBY-8BI/5SBY-8BI_ligand.pdbqt | data/5S/5SBY-8BI/5SBY-8BI_target.pdbqt | data/5S/5SBY-8BI/5SBY-8BI_decoys.pdbqt | data/5S/5SBY-8BI/5SBY-8BI_decoy_scores.csv |
5S5K-GTP | data/5S/5S5K-GTP/5S5K-GTP_ligand.pdbqt | data/5S/5S5K-GTP/5S5K-GTP_target.pdbqt | data/5S/5S5K-GTP/5S5K-GTP_decoys.pdbqt | data/5S/5S5K-GTP/5S5K-GTP_decoy_scores.csv |
5SB7-GTP | data/5S/5SB7-GTP/5SB7-GTP_ligand.pdbqt | data/5S/5SB7-GTP/5SB7-GTP_target.pdbqt | data/5S/5SB7-GTP/5SB7-GTP_decoys.pdbqt | data/5S/5SB7-GTP/5SB7-GTP_decoy_scores.csv |
5S5Q-ACP | data/5S/5S5Q-ACP/5S5Q-ACP_ligand.pdbqt | data/5S/5S5Q-ACP/5S5Q-ACP_target.pdbqt | data/5S/5S5Q-ACP/5S5Q-ACP_decoys.pdbqt | data/5S/5S5Q-ACP/5S5Q-ACP_decoy_scores.csv |
5S5A-ACP | data/5S/5S5A-ACP/5S5A-ACP_ligand.pdbqt | data/5S/5S5A-ACP/5S5A-ACP_target.pdbqt | data/5S/5S5A-ACP/5S5A-ACP_decoys.pdbqt | data/5S/5S5A-ACP/5S5A-ACP_decoy_scores.csv |
5S8O-XM4 | data/5S/5S8O-XM4/5S8O-XM4_ligand.pdbqt | data/5S/5S8O-XM4/5S8O-XM4_target.pdbqt | data/5S/5S8O-XM4/5S8O-XM4_decoys.pdbqt | data/5S/5S8O-XM4/5S8O-XM4_decoy_scores.csv |
5SW1-MHA | data/5S/5SW1-MHA/5SW1-MHA_ligand.pdbqt | data/5S/5SW1-MHA/5SW1-MHA_target.pdbqt | data/5S/5SW1-MHA/5SW1-MHA_decoys.pdbqt | data/5S/5SW1-MHA/5SW1-MHA_decoy_scores.csv |
5SHL-JHI | data/5S/5SHL-JHI/5SHL-JHI_ligand.pdbqt | data/5S/5SHL-JHI/5SHL-JHI_target.pdbqt | data/5S/5SHL-JHI/5SHL-JHI_decoys.pdbqt | data/5S/5SHL-JHI/5SHL-JHI_decoy_scores.csv |
5SF9-IJT | data/5S/5SF9-IJT/5SF9-IJT_ligand.pdbqt | data/5S/5SF9-IJT/5SF9-IJT_target.pdbqt | data/5S/5SF9-IJT/5SF9-IJT_decoys.pdbqt | data/5S/5SF9-IJT/5SF9-IJT_decoy_scores.csv |
5S4K-W44 | data/5S/5S4K-W44/5S4K-W44_ligand.pdbqt | data/5S/5S4K-W44/5S4K-W44_target.pdbqt | data/5S/5S4K-W44/5S4K-W44_decoys.pdbqt | data/5S/5S4K-W44/5S4K-W44_decoy_scores.csv |
5SL3-LGR | data/5S/5SL3-LGR/5SL3-LGR_ligand.pdbqt | data/5S/5SL3-LGR/5SL3-LGR_target.pdbqt | data/5S/5SL3-LGR/5SL3-LGR_decoys.pdbqt | data/5S/5SL3-LGR/5SL3-LGR_decoy_scores.csv |
5S2O-NXS | data/5S/5S2O-NXS/5S2O-NXS_ligand.pdbqt | data/5S/5S2O-NXS/5S2O-NXS_target.pdbqt | data/5S/5S2O-NXS/5S2O-NXS_decoys.pdbqt | data/5S/5S2O-NXS/5S2O-NXS_decoy_scores.csv |
5SGQ-IYH | data/5S/5SGQ-IYH/5SGQ-IYH_ligand.pdbqt | data/5S/5SGQ-IYH/5SGQ-IYH_target.pdbqt | data/5S/5SGQ-IYH/5SGQ-IYH_decoys.pdbqt | data/5S/5SGQ-IYH/5SGQ-IYH_decoy_scores.csv |
5SIZ-JWC | data/5S/5SIZ-JWC/5SIZ-JWC_ligand.pdbqt | data/5S/5SIZ-JWC/5SIZ-JWC_target.pdbqt | data/5S/5SIZ-JWC/5SIZ-JWC_decoys.pdbqt | data/5S/5SIZ-JWC/5SIZ-JWC_decoy_scores.csv |
5SAK-ZRY | data/5S/5SAK-ZRY/5SAK-ZRY_ligand.pdbqt | data/5S/5SAK-ZRY/5SAK-ZRY_target.pdbqt | data/5S/5SAK-ZRY/5SAK-ZRY_decoys.pdbqt | data/5S/5SAK-ZRY/5SAK-ZRY_decoy_scores.csv |
5S4T-ACP | data/5S/5S4T-ACP/5S4T-ACP_ligand.pdbqt | data/5S/5S4T-ACP/5S4T-ACP_target.pdbqt | data/5S/5S4T-ACP/5S4T-ACP_decoys.pdbqt | data/5S/5S4T-ACP/5S4T-ACP_decoy_scores.csv |
5SCI-FBP | data/5S/5SCI-FBP/5SCI-FBP_ligand.pdbqt | data/5S/5SCI-FBP/5SCI-FBP_target.pdbqt | data/5S/5SCI-FBP/5SCI-FBP_decoys.pdbqt | data/5S/5SCI-FBP/5SCI-FBP_decoy_scores.csv |
5S5C-GTP | data/5S/5S5C-GTP/5S5C-GTP_ligand.pdbqt | data/5S/5S5C-GTP/5S5C-GTP_target.pdbqt | data/5S/5S5C-GTP/5S5C-GTP_decoys.pdbqt | data/5S/5S5C-GTP/5S5C-GTP_decoy_scores.csv |
5SLY-LM6 | data/5S/5SLY-LM6/5SLY-LM6_ligand.pdbqt | data/5S/5SLY-LM6/5SLY-LM6_target.pdbqt | data/5S/5SLY-LM6/5SLY-LM6_decoys.pdbqt | data/5S/5SLY-LM6/5SLY-LM6_decoy_scores.csv |
5S1S-WQJ | data/5S/5S1S-WQJ/5S1S-WQJ_ligand.pdbqt | data/5S/5S1S-WQJ/5S1S-WQJ_target.pdbqt | data/5S/5S1S-WQJ/5S1S-WQJ_decoys.pdbqt | data/5S/5S1S-WQJ/5S1S-WQJ_decoy_scores.csv |
5SVW-FMN | data/5S/5SVW-FMN/5SVW-FMN_ligand.pdbqt | data/5S/5SVW-FMN/5SVW-FMN_target.pdbqt | data/5S/5SVW-FMN/5SVW-FMN_decoys.pdbqt | data/5S/5SVW-FMN/5SVW-FMN_decoy_scores.csv |
5SE6-IEB | data/5S/5SE6-IEB/5SE6-IEB_ligand.pdbqt | data/5S/5SE6-IEB/5SE6-IEB_target.pdbqt | data/5S/5SE6-IEB/5SE6-IEB_decoys.pdbqt | data/5S/5SE6-IEB/5SE6-IEB_decoy_scores.csv |
5S56-ACP | data/5S/5S56-ACP/5S56-ACP_ligand.pdbqt | data/5S/5S56-ACP/5S56-ACP_target.pdbqt | data/5S/5S56-ACP/5S56-ACP_decoys.pdbqt | data/5S/5S56-ACP/5S56-ACP_decoy_scores.csv |
5S5L-X0M | data/5S/5S5L-X0M/5S5L-X0M_ligand.pdbqt | data/5S/5S5L-X0M/5S5L-X0M_target.pdbqt | data/5S/5S5L-X0M/5S5L-X0M_decoys.pdbqt | data/5S/5S5L-X0M/5S5L-X0M_decoy_scores.csv |
5S00-WJM | data/5S/5S00-WJM/5S00-WJM_ligand.pdbqt | data/5S/5S00-WJM/5S00-WJM_target.pdbqt | data/5S/5S00-WJM/5S00-WJM_decoys.pdbqt | data/5S/5S00-WJM/5S00-WJM_decoy_scores.csv |
5S5I-X0G | data/5S/5S5I-X0G/5S5I-X0G_ligand.pdbqt | data/5S/5S5I-X0G/5S5I-X0G_target.pdbqt | data/5S/5S5I-X0G/5S5I-X0G_decoys.pdbqt | data/5S/5S5I-X0G/5S5I-X0G_decoy_scores.csv |
5SFQ-IO7 | data/5S/5SFQ-IO7/5SFQ-IO7_ligand.pdbqt | data/5S/5SFQ-IO7/5SFQ-IO7_target.pdbqt | data/5S/5SFQ-IO7/5SFQ-IO7_decoys.pdbqt | data/5S/5SFQ-IO7/5SFQ-IO7_decoy_scores.csv |
5S5D-GTP | data/5S/5S5D-GTP/5S5D-GTP_ligand.pdbqt | data/5S/5S5D-GTP/5S5D-GTP_target.pdbqt | data/5S/5S5D-GTP/5S5D-GTP_decoys.pdbqt | data/5S/5S5D-GTP/5S5D-GTP_decoy_scores.csv |
5S7E-LU8 | data/5S/5S7E-LU8/5S7E-LU8_ligand.pdbqt | data/5S/5S7E-LU8/5S7E-LU8_target.pdbqt | data/5S/5S7E-LU8/5S7E-LU8_decoys.pdbqt | data/5S/5S7E-LU8/5S7E-LU8_decoy_scores.csv |
5SM6-K1A | data/5S/5SM6-K1A/5SM6-K1A_ligand.pdbqt | data/5S/5SM6-K1A/5SM6-K1A_target.pdbqt | data/5S/5SM6-K1A/5SM6-K1A_decoys.pdbqt | data/5S/5SM6-K1A/5SM6-K1A_decoy_scores.csv |
5SDL-JHJ | data/5S/5SDL-JHJ/5SDL-JHJ_ligand.pdbqt | data/5S/5SDL-JHJ/5SDL-JHJ_target.pdbqt | data/5S/5SDL-JHJ/5SDL-JHJ_decoys.pdbqt | data/5S/5SDL-JHJ/5SDL-JHJ_decoy_scores.csv |
5S5W-GTP | data/5S/5S5W-GTP/5S5W-GTP_ligand.pdbqt | data/5S/5S5W-GTP/5S5W-GTP_target.pdbqt | data/5S/5S5W-GTP/5S5W-GTP_decoys.pdbqt | data/5S/5S5W-GTP/5S5W-GTP_decoy_scores.csv |
5SKZ-NVD | data/5S/5SKZ-NVD/5SKZ-NVD_ligand.pdbqt | data/5S/5SKZ-NVD/5SKZ-NVD_target.pdbqt | data/5S/5SKZ-NVD/5SKZ-NVD_decoys.pdbqt | data/5S/5SKZ-NVD/5SKZ-NVD_decoy_scores.csv |
5SJD-K18 | data/5S/5SJD-K18/5SJD-K18_ligand.pdbqt | data/5S/5SJD-K18/5SJD-K18_target.pdbqt | data/5S/5SJD-K18/5SJD-K18_decoys.pdbqt | data/5S/5SJD-K18/5SJD-K18_decoy_scores.csv |
5SJ7-JY3 | data/5S/5SJ7-JY3/5SJ7-JY3_ligand.pdbqt | data/5S/5SJ7-JY3/5SJ7-JY3_target.pdbqt | data/5S/5SJ7-JY3/5SJ7-JY3_decoys.pdbqt | data/5S/5SJ7-JY3/5SJ7-JY3_decoy_scores.csv |
5SCA-FBP | data/5S/5SCA-FBP/5SCA-FBP_ligand.pdbqt | data/5S/5SCA-FBP/5SCA-FBP_target.pdbqt | data/5S/5SCA-FBP/5SCA-FBP_decoys.pdbqt | data/5S/5SCA-FBP/5SCA-FBP_decoy_scores.csv |
5S5L-GDP | data/5S/5S5L-GDP/5S5L-GDP_ligand.pdbqt | data/5S/5S5L-GDP/5S5L-GDP_target.pdbqt | data/5S/5S5L-GDP/5S5L-GDP_decoys.pdbqt | data/5S/5S5L-GDP/5S5L-GDP_decoy_scores.csv |
5SFD-IKB | data/5S/5SFD-IKB/5SFD-IKB_ligand.pdbqt | data/5S/5SFD-IKB/5SFD-IKB_target.pdbqt | data/5S/5SFD-IKB/5SFD-IKB_decoys.pdbqt | data/5S/5SFD-IKB/5SFD-IKB_decoy_scores.csv |
5S4Y-GTP | data/5S/5S4Y-GTP/5S4Y-GTP_ligand.pdbqt | data/5S/5S4Y-GTP/5S4Y-GTP_target.pdbqt | data/5S/5S4Y-GTP/5S4Y-GTP_decoys.pdbqt | data/5S/5S4Y-GTP/5S4Y-GTP_decoy_scores.csv |
5S57-WZS | data/5S/5S57-WZS/5S57-WZS_ligand.pdbqt | data/5S/5S57-WZS/5S57-WZS_target.pdbqt | data/5S/5S57-WZS/5S57-WZS_decoys.pdbqt | data/5S/5S57-WZS/5S57-WZS_decoy_scores.csv |
5SD7-I0E | data/5S/5SD7-I0E/5SD7-I0E_ligand.pdbqt | data/5S/5SD7-I0E/5SD7-I0E_target.pdbqt | data/5S/5SD7-I0E/5SD7-I0E_decoys.pdbqt | data/5S/5SD7-I0E/5SD7-I0E_decoy_scores.csv |
5SXQ-NIZ | data/5S/5SXQ-NIZ/5SXQ-NIZ_ligand.pdbqt | data/5S/5SXQ-NIZ/5SXQ-NIZ_target.pdbqt | data/5S/5SXQ-NIZ/5SXQ-NIZ_decoys.pdbqt | data/5S/5SXQ-NIZ/5SXQ-NIZ_decoy_scores.csv |
5S5O-ACP | data/5S/5S5O-ACP/5S5O-ACP_ligand.pdbqt | data/5S/5S5O-ACP/5S5O-ACP_target.pdbqt | data/5S/5S5O-ACP/5S5O-ACP_decoys.pdbqt | data/5S/5S5O-ACP/5S5O-ACP_decoy_scores.csv |
5S3V-W2M | data/5S/5S3V-W2M/5S3V-W2M_ligand.pdbqt | data/5S/5S3V-W2M/5S3V-W2M_target.pdbqt | data/5S/5S3V-W2M/5S3V-W2M_decoys.pdbqt | data/5S/5S3V-W2M/5S3V-W2M_decoy_scores.csv |
5SCM-GHU | data/5S/5SCM-GHU/5SCM-GHU_ligand.pdbqt | data/5S/5SCM-GHU/5SCM-GHU_target.pdbqt | data/5S/5SCM-GHU/5SCM-GHU_decoys.pdbqt | data/5S/5SCM-GHU/5SCM-GHU_decoy_scores.csv |
5SIE-JOF | data/5S/5SIE-JOF/5SIE-JOF_ligand.pdbqt | data/5S/5SIE-JOF/5SIE-JOF_target.pdbqt | data/5S/5SIE-JOF/5SIE-JOF_decoys.pdbqt | data/5S/5SIE-JOF/5SIE-JOF_decoy_scores.csv |
5SFT-IOZ | data/5S/5SFT-IOZ/5SFT-IOZ_ligand.pdbqt | data/5S/5SFT-IOZ/5SFT-IOZ_target.pdbqt | data/5S/5SFT-IOZ/5SFT-IOZ_decoys.pdbqt | data/5S/5SFT-IOZ/5SFT-IOZ_decoy_scores.csv |
5SFK-IL6 | data/5S/5SFK-IL6/5SFK-IL6_ligand.pdbqt | data/5S/5SFK-IL6/5SFK-IL6_target.pdbqt | data/5S/5SFK-IL6/5SFK-IL6_decoys.pdbqt | data/5S/5SFK-IL6/5SFK-IL6_decoy_scores.csv |
5S58-NUY | data/5S/5S58-NUY/5S58-NUY_ligand.pdbqt | data/5S/5S58-NUY/5S58-NUY_target.pdbqt | data/5S/5S58-NUY/5S58-NUY_decoys.pdbqt | data/5S/5S58-NUY/5S58-NUY_decoy_scores.csv |
5S9K-LU8 | data/5S/5S9K-LU8/5S9K-LU8_ligand.pdbqt | data/5S/5S9K-LU8/5S9K-LU8_target.pdbqt | data/5S/5S9K-LU8/5S9K-LU8_decoys.pdbqt | data/5S/5S9K-LU8/5S9K-LU8_decoy_scores.csv |
5SB7-ACP | data/5S/5SB7-ACP/5SB7-ACP_ligand.pdbqt | data/5S/5SB7-ACP/5SB7-ACP_target.pdbqt | data/5S/5SB7-ACP/5SB7-ACP_decoys.pdbqt | data/5S/5SB7-ACP/5SB7-ACP_decoy_scores.csv |
5S9B-OVM | data/5S/5S9B-OVM/5S9B-OVM_ligand.pdbqt | data/5S/5S9B-OVM/5S9B-OVM_target.pdbqt | data/5S/5S9B-OVM/5S9B-OVM_decoys.pdbqt | data/5S/5S9B-OVM/5S9B-OVM_decoy_scores.csv |
5S5Y-GTP | data/5S/5S5Y-GTP/5S5Y-GTP_ligand.pdbqt | data/5S/5S5Y-GTP/5S5Y-GTP_target.pdbqt | data/5S/5S5Y-GTP/5S5Y-GTP_decoys.pdbqt | data/5S/5S5Y-GTP/5S5Y-GTP_decoy_scores.csv |
5S3Q-W2A | data/5S/5S3Q-W2A/5S3Q-W2A_ligand.pdbqt | data/5S/5S3Q-W2A/5S3Q-W2A_target.pdbqt | data/5S/5S3Q-W2A/5S3Q-W2A_decoys.pdbqt | data/5S/5S3Q-W2A/5S3Q-W2A_decoy_scores.csv |
5S3B-W1A | data/5S/5S3B-W1A/5S3B-W1A_ligand.pdbqt | data/5S/5S3B-W1A/5S3B-W1A_target.pdbqt | data/5S/5S3B-W1A/5S3B-W1A_decoys.pdbqt | data/5S/5S3B-W1A/5S3B-W1A_decoy_scores.csv |
5SD9-HZU | data/5S/5SD9-HZU/5SD9-HZU_ligand.pdbqt | data/5S/5SD9-HZU/5SD9-HZU_target.pdbqt | data/5S/5SD9-HZU/5SD9-HZU_decoys.pdbqt | data/5S/5SD9-HZU/5SD9-HZU_decoy_scores.csv |
5SDY-IB4 | data/5S/5SDY-IB4/5SDY-IB4_ligand.pdbqt | data/5S/5SDY-IB4/5SDY-IB4_target.pdbqt | data/5S/5SDY-IB4/5SDY-IB4_decoys.pdbqt | data/5S/5SDY-IB4/5SDY-IB4_decoy_scores.csv |
5S5D-ACP | data/5S/5S5D-ACP/5S5D-ACP_ligand.pdbqt | data/5S/5S5D-ACP/5S5D-ACP_target.pdbqt | data/5S/5S5D-ACP/5S5D-ACP_decoys.pdbqt | data/5S/5S5D-ACP/5S5D-ACP_decoy_scores.csv |
5S5W-STV | data/5S/5S5W-STV/5S5W-STV_ligand.pdbqt | data/5S/5S5W-STV/5S5W-STV_target.pdbqt | data/5S/5S5W-STV/5S5W-STV_decoys.pdbqt | data/5S/5S5W-STV/5S5W-STV_decoy_scores.csv |
5S22-WRJ | data/5S/5S22-WRJ/5S22-WRJ_ligand.pdbqt | data/5S/5S22-WRJ/5S22-WRJ_target.pdbqt | data/5S/5S22-WRJ/5S22-WRJ_decoys.pdbqt | data/5S/5S22-WRJ/5S22-WRJ_decoy_scores.csv |
5SA5-ZQA | data/5S/5SA5-ZQA/5SA5-ZQA_ligand.pdbqt | data/5S/5SA5-ZQA/5SA5-ZQA_target.pdbqt | data/5S/5SA5-ZQA/5SA5-ZQA_decoys.pdbqt | data/5S/5SA5-ZQA/5SA5-ZQA_decoy_scores.csv |
5S4U-GDP | data/5S/5S4U-GDP/5S4U-GDP_ligand.pdbqt | data/5S/5S4U-GDP/5S4U-GDP_target.pdbqt | data/5S/5S4U-GDP/5S4U-GDP_decoys.pdbqt | data/5S/5S4U-GDP/5S4U-GDP_decoy_scores.csv |
5S2F-K0G | data/5S/5S2F-K0G/5S2F-K0G_ligand.pdbqt | data/5S/5S2F-K0G/5S2F-K0G_target.pdbqt | data/5S/5S2F-K0G/5S2F-K0G_decoys.pdbqt | data/5S/5S2F-K0G/5S2F-K0G_decoy_scores.csv |
5SFG-IKK | data/5S/5SFG-IKK/5SFG-IKK_ligand.pdbqt | data/5S/5SFG-IKK/5SFG-IKK_target.pdbqt | data/5S/5SFG-IKK/5SFG-IKK_decoys.pdbqt | data/5S/5SFG-IKK/5SFG-IKK_decoy_scores.csv |
5S5C-GDP | data/5S/5S5C-GDP/5S5C-GDP_ligand.pdbqt | data/5S/5S5C-GDP/5S5C-GDP_target.pdbqt | data/5S/5S5C-GDP/5S5C-GDP_decoys.pdbqt | data/5S/5S5C-GDP/5S5C-GDP_decoy_scores.csv |
5SGS-IYN | data/5S/5SGS-IYN/5SGS-IYN_ligand.pdbqt | data/5S/5SGS-IYN/5SGS-IYN_target.pdbqt | data/5S/5SGS-IYN/5SGS-IYN_decoys.pdbqt | data/5S/5SGS-IYN/5SGS-IYN_decoy_scores.csv |
5S4Z-GTP | data/5S/5S4Z-GTP/5S4Z-GTP_ligand.pdbqt | data/5S/5S4Z-GTP/5S4Z-GTP_target.pdbqt | data/5S/5S4Z-GTP/5S4Z-GTP_decoys.pdbqt | data/5S/5S4Z-GTP/5S4Z-GTP_decoy_scores.csv |
5SHA-JBV | data/5S/5SHA-JBV/5SHA-JBV_ligand.pdbqt | data/5S/5SHA-JBV/5SHA-JBV_target.pdbqt | data/5S/5SHA-JBV/5SHA-JBV_decoys.pdbqt | data/5S/5SHA-JBV/5SHA-JBV_decoy_scores.csv |
5SLX-LMW | data/5S/5SLX-LMW/5SLX-LMW_ligand.pdbqt | data/5S/5SLX-LMW/5SLX-LMW_target.pdbqt | data/5S/5SLX-LMW/5SLX-LMW_decoys.pdbqt | data/5S/5SLX-LMW/5SLX-LMW_decoy_scores.csv |
5SH6-J7M | data/5S/5SH6-J7M/5SH6-J7M_ligand.pdbqt | data/5S/5SH6-J7M/5SH6-J7M_target.pdbqt | data/5S/5SH6-J7M/5SH6-J7M_decoys.pdbqt | data/5S/5SH6-J7M/5SH6-J7M_decoy_scores.csv |
5S5F-GTP | data/5S/5S5F-GTP/5S5F-GTP_ligand.pdbqt | data/5S/5S5F-GTP/5S5F-GTP_target.pdbqt | data/5S/5S5F-GTP/5S5F-GTP_decoys.pdbqt | data/5S/5S5F-GTP/5S5F-GTP_decoy_scores.csv |
5S3E-WSY | data/5S/5S3E-WSY/5S3E-WSY_ligand.pdbqt | data/5S/5S3E-WSY/5S3E-WSY_target.pdbqt | data/5S/5S3E-WSY/5S3E-WSY_decoys.pdbqt | data/5S/5S3E-WSY/5S3E-WSY_decoy_scores.csv |
5S5K-ACP | data/5S/5S5K-ACP/5S5K-ACP_ligand.pdbqt | data/5S/5S5K-ACP/5S5K-ACP_target.pdbqt | data/5S/5S5K-ACP/5S5K-ACP_decoys.pdbqt | data/5S/5S5K-ACP/5S5K-ACP_decoy_scores.csv |
5SLG-NZJ | data/5S/5SLG-NZJ/5SLG-NZJ_ligand.pdbqt | data/5S/5SLG-NZJ/5SLG-NZJ_target.pdbqt | data/5S/5SLG-NZJ/5SLG-NZJ_decoys.pdbqt | data/5S/5SLG-NZJ/5SLG-NZJ_decoy_scores.csv |
5S9V-NUY | data/5S/5S9V-NUY/5S9V-NUY_ligand.pdbqt | data/5S/5S9V-NUY/5S9V-NUY_target.pdbqt | data/5S/5S9V-NUY/5S9V-NUY_decoys.pdbqt | data/5S/5S9V-NUY/5S9V-NUY_decoy_scores.csv |
5SJM-K4L | data/5S/5SJM-K4L/5SJM-K4L_ligand.pdbqt | data/5S/5SJM-K4L/5SJM-K4L_target.pdbqt | data/5S/5SJM-K4L/5SJM-K4L_decoys.pdbqt | data/5S/5SJM-K4L/5SJM-K4L_decoy_scores.csv |
5SAL-ZS1 | data/5S/5SAL-ZS1/5SAL-ZS1_ligand.pdbqt | data/5S/5SAL-ZS1/5SAL-ZS1_target.pdbqt | data/5S/5SAL-ZS1/5SAL-ZS1_decoys.pdbqt | data/5S/5SAL-ZS1/5SAL-ZS1_decoy_scores.csv |
5S61-ACP | data/5S/5S61-ACP/5S61-ACP_ligand.pdbqt | data/5S/5S61-ACP/5S61-ACP_target.pdbqt | data/5S/5S61-ACP/5S61-ACP_decoys.pdbqt | data/5S/5S61-ACP/5S61-ACP_decoy_scores.csv |
5SIF-JOO | data/5S/5SIF-JOO/5SIF-JOO_ligand.pdbqt | data/5S/5SIF-JOO/5SIF-JOO_target.pdbqt | data/5S/5SIF-JOO/5SIF-JOO_decoys.pdbqt | data/5S/5SIF-JOO/5SIF-JOO_decoy_scores.csv |
5S5B-ACP | data/5S/5S5B-ACP/5S5B-ACP_ligand.pdbqt | data/5S/5S5B-ACP/5S5B-ACP_target.pdbqt | data/5S/5S5B-ACP/5S5B-ACP_decoys.pdbqt | data/5S/5S5B-ACP/5S5B-ACP_decoy_scores.csv |
5S5I-GDP | data/5S/5S5I-GDP/5S5I-GDP_ligand.pdbqt | data/5S/5S5I-GDP/5S5I-GDP_target.pdbqt | data/5S/5S5I-GDP/5S5I-GDP_decoys.pdbqt | data/5S/5S5I-GDP/5S5I-GDP_decoy_scores.csv |
5ST0-UV9 | data/5S/5ST0-UV9/5ST0-UV9_ligand.pdbqt | data/5S/5ST0-UV9/5ST0-UV9_target.pdbqt | data/5S/5ST0-UV9/5ST0-UV9_decoys.pdbqt | data/5S/5ST0-UV9/5ST0-UV9_decoy_scores.csv |
5SBP-8BC | data/5S/5SBP-8BC/5SBP-8BC_ligand.pdbqt | data/5S/5SBP-8BC/5SBP-8BC_target.pdbqt | data/5S/5SBP-8BC/5SBP-8BC_decoys.pdbqt | data/5S/5SBP-8BC/5SBP-8BC_decoy_scores.csv |
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