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 ⌀ |
|---|---|---|---|---|
6TPD-QZ8 | data/6T/6TPD-QZ8/6TPD-QZ8_ligand.pdbqt | data/6T/6TPD-QZ8/6TPD-QZ8_target.pdbqt | data/6T/6TPD-QZ8/6TPD-QZ8_decoys.pdbqt | data/6T/6TPD-QZ8/6TPD-QZ8_decoy_scores.csv |
6T52-MJH | data/6T/6T52-MJH/6T52-MJH_ligand.pdbqt | data/6T/6T52-MJH/6T52-MJH_target.pdbqt | data/6T/6T52-MJH/6T52-MJH_decoys.pdbqt | data/6T/6T52-MJH/6T52-MJH_decoy_scores.csv |
6T53-K73 | data/6T/6T53-K73/6T53-K73_ligand.pdbqt | data/6T/6T53-K73/6T53-K73_target.pdbqt | data/6T/6T53-K73/6T53-K73_decoys.pdbqt | data/6T/6T53-K73/6T53-K73_decoy_scores.csv |
6T4J-L3E | data/6T/6T4J-L3E/6T4J-L3E_ligand.pdbqt | data/6T/6T4J-L3E/6T4J-L3E_target.pdbqt | data/6T/6T4J-L3E/6T4J-L3E_decoys.pdbqt | data/6T/6T4J-L3E/6T4J-L3E_decoy_scores.csv |
6T1O-M82 | data/6T/6T1O-M82/6T1O-M82_ligand.pdbqt | data/6T/6T1O-M82/6T1O-M82_target.pdbqt | data/6T/6T1O-M82/6T1O-M82_decoys.pdbqt | data/6T/6T1O-M82/6T1O-M82_decoy_scores.csv |
6TOO-NR8 | data/6T/6TOO-NR8/6TOO-NR8_ligand.pdbqt | data/6T/6TOO-NR8/6TOO-NR8_target.pdbqt | data/6T/6TOO-NR8/6TOO-NR8_decoys.pdbqt | data/6T/6TOO-NR8/6TOO-NR8_decoy_scores.csv |
6TIS-GDP | data/6T/6TIS-GDP/6TIS-GDP_ligand.pdbqt | data/6T/6TIS-GDP/6TIS-GDP_target.pdbqt | data/6T/6TIS-GDP/6TIS-GDP_decoys.pdbqt | data/6T/6TIS-GDP/6TIS-GDP_decoy_scores.csv |
6TGI-N8Z | data/6T/6TGI-N8Z/6TGI-N8Z_ligand.pdbqt | data/6T/6TGI-N8Z/6TGI-N8Z_target.pdbqt | data/6T/6TGI-N8Z/6TGI-N8Z_decoys.pdbqt | data/6T/6TGI-N8Z/6TGI-N8Z_decoy_scores.csv |
6T2B-A2G | data/6T/6T2B-A2G/6T2B-A2G_ligand.pdbqt | data/6T/6T2B-A2G/6T2B-A2G_target.pdbqt | data/6T/6T2B-A2G/6T2B-A2G_decoys.pdbqt | data/6T/6T2B-A2G/6T2B-A2G_decoy_scores.csv |
6TW2-V25 | data/6T/6TW2-V25/6TW2-V25_ligand.pdbqt | data/6T/6TW2-V25/6TW2-V25_target.pdbqt | data/6T/6TW2-V25/6TW2-V25_decoys.pdbqt | data/6T/6TW2-V25/6TW2-V25_decoy_scores.csv |
6TGG-N8W | data/6T/6TGG-N8W/6TGG-N8W_ligand.pdbqt | data/6T/6TGG-N8W/6TGG-N8W_target.pdbqt | data/6T/6TGG-N8W/6TGG-N8W_decoys.pdbqt | data/6T/6TGG-N8W/6TGG-N8W_decoy_scores.csv |
6TA0-PRP | data/6T/6TA0-PRP/6TA0-PRP_ligand.pdbqt | data/6T/6TA0-PRP/6TA0-PRP_target.pdbqt | data/6T/6TA0-PRP/6TA0-PRP_decoys.pdbqt | data/6T/6TA0-PRP/6TA0-PRP_decoy_scores.csv |
6T09-M4T | data/6T/6T09-M4T/6T09-M4T_ligand.pdbqt | data/6T/6T09-M4T/6T09-M4T_target.pdbqt | data/6T/6T09-M4T/6T09-M4T_decoys.pdbqt | data/6T/6T09-M4T/6T09-M4T_decoy_scores.csv |
6T4E-HWH | data/6T/6T4E-HWH/6T4E-HWH_ligand.pdbqt | data/6T/6T4E-HWH/6T4E-HWH_target.pdbqt | data/6T/6T4E-HWH/6T4E-HWH_decoys.pdbqt | data/6T/6T4E-HWH/6T4E-HWH_decoy_scores.csv |
6TH4-GTP | data/6T/6TH4-GTP/6TH4-GTP_ligand.pdbqt | data/6T/6TH4-GTP/6TH4-GTP_target.pdbqt | data/6T/6TH4-GTP/6TH4-GTP_decoys.pdbqt | data/6T/6TH4-GTP/6TH4-GTP_decoy_scores.csv |
6T4X-HC3 | data/6T/6T4X-HC3/6T4X-HC3_ligand.pdbqt | data/6T/6T4X-HC3/6T4X-HC3_target.pdbqt | data/6T/6T4X-HC3/6T4X-HC3_decoys.pdbqt | data/6T/6T4X-HC3/6T4X-HC3_decoy_scores.csv |
6TSC-SAH | data/6T/6TSC-SAH/6TSC-SAH_ligand.pdbqt | data/6T/6TSC-SAH/6TSC-SAH_target.pdbqt | data/6T/6TSC-SAH/6TSC-SAH_decoys.pdbqt | data/6T/6TSC-SAH/6TSC-SAH_decoy_scores.csv |
6TN3-GN1 | data/6T/6TN3-GN1/6TN3-GN1_ligand.pdbqt | data/6T/6TN3-GN1/6TN3-GN1_target.pdbqt | data/6T/6TN3-GN1/6TN3-GN1_decoys.pdbqt | data/6T/6TN3-GN1/6TN3-GN1_decoy_scores.csv |
6TK2-LFA | data/6T/6TK2-LFA/6TK2-LFA_ligand.pdbqt | data/6T/6TK2-LFA/6TK2-LFA_target.pdbqt | data/6T/6TK2-LFA/6TK2-LFA_decoys.pdbqt | data/6T/6TK2-LFA/6TK2-LFA_decoy_scores.csv |
6T40-STE | data/6T/6T40-STE/6T40-STE_ligand.pdbqt | data/6T/6T40-STE/6T40-STE_target.pdbqt | data/6T/6T40-STE/6T40-STE_decoys.pdbqt | data/6T/6T40-STE/6T40-STE_decoy_scores.csv |
6TR7-HWH | data/6T/6TR7-HWH/6TR7-HWH_ligand.pdbqt | data/6T/6TR7-HWH/6TR7-HWH_target.pdbqt | data/6T/6TR7-HWH/6TR7-HWH_decoys.pdbqt | data/6T/6TR7-HWH/6TR7-HWH_decoy_scores.csv |
6T04-M3H | data/6T/6T04-M3H/6T04-M3H_ligand.pdbqt | data/6T/6T04-M3H/6T04-M3H_target.pdbqt | data/6T/6T04-M3H/6T04-M3H_decoys.pdbqt | data/6T/6T04-M3H/6T04-M3H_decoy_scores.csv |
6T0F-K2B | data/6T/6T0F-K2B/6T0F-K2B_ligand.pdbqt | data/6T/6T0F-K2B/6T0F-K2B_target.pdbqt | data/6T/6T0F-K2B/6T0F-K2B_decoys.pdbqt | data/6T/6T0F-K2B/6T0F-K2B_decoy_scores.csv |
6T2Z-HL9 | data/6T/6T2Z-HL9/6T2Z-HL9_ligand.pdbqt | data/6T/6T2Z-HL9/6T2Z-HL9_target.pdbqt | data/6T/6T2Z-HL9/6T2Z-HL9_decoys.pdbqt | data/6T/6T2Z-HL9/6T2Z-HL9_decoy_scores.csv |
6TL5-MKQ | data/6T/6TL5-MKQ/6TL5-MKQ_ligand.pdbqt | data/6T/6TL5-MKQ/6TL5-MKQ_target.pdbqt | data/6T/6TL5-MKQ/6TL5-MKQ_decoys.pdbqt | data/6T/6TL5-MKQ/6TL5-MKQ_decoy_scores.csv |
6TCU-N1Q | data/6T/6TCU-N1Q/6TCU-N1Q_ligand.pdbqt | data/6T/6TCU-N1Q/6TCU-N1Q_target.pdbqt | data/6T/6TCU-N1Q/6TCU-N1Q_decoys.pdbqt | data/6T/6TCU-N1Q/6TCU-N1Q_decoy_scores.csv |
6TPF-NTQ | data/6T/6TPF-NTQ/6TPF-NTQ_ligand.pdbqt | data/6T/6TPF-NTQ/6TPF-NTQ_target.pdbqt | data/6T/6TPF-NTQ/6TPF-NTQ_decoys.pdbqt | data/6T/6TPF-NTQ/6TPF-NTQ_decoy_scores.csv |
6T5I-9XK | data/6T/6T5I-9XK/6T5I-9XK_ligand.pdbqt | data/6T/6T5I-9XK/6T5I-9XK_target.pdbqt | data/6T/6T5I-9XK/6T5I-9XK_decoys.pdbqt | data/6T/6T5I-9XK/6T5I-9XK_decoy_scores.csv |
6T1M-M8K | data/6T/6T1M-M8K/6T1M-M8K_ligand.pdbqt | data/6T/6T1M-M8K/6T1M-M8K_target.pdbqt | data/6T/6T1M-M8K/6T1M-M8K_decoys.pdbqt | data/6T/6T1M-M8K/6T1M-M8K_decoy_scores.csv |
6TK6-RET | data/6T/6TK6-RET/6TK6-RET_ligand.pdbqt | data/6T/6TK6-RET/6TK6-RET_target.pdbqt | data/6T/6TK6-RET/6TK6-RET_decoys.pdbqt | data/6T/6TK6-RET/6TK6-RET_decoy_scores.csv |
6TTN-HYO | data/6T/6TTN-HYO/6TTN-HYO_ligand.pdbqt | data/6T/6TTN-HYO/6TTN-HYO_target.pdbqt | null | null |
6T4X-L3E | data/6T/6T4X-L3E/6T4X-L3E_ligand.pdbqt | data/6T/6T4X-L3E/6T4X-L3E_target.pdbqt | data/6T/6T4X-L3E/6T4X-L3E_decoys.pdbqt | data/6T/6T4X-L3E/6T4X-L3E_decoy_scores.csv |
6T05-M6H | data/6T/6T05-M6H/6T05-M6H_ligand.pdbqt | data/6T/6T05-M6H/6T05-M6H_target.pdbqt | data/6T/6T05-M6H/6T05-M6H_decoys.pdbqt | data/6T/6T05-M6H/6T05-M6H_decoy_scores.csv |
6T00-NHE | data/6T/6T00-NHE/6T00-NHE_ligand.pdbqt | data/6T/6T00-NHE/6T00-NHE_target.pdbqt | data/6T/6T00-NHE/6T00-NHE_decoys.pdbqt | data/6T/6T00-NHE/6T00-NHE_decoy_scores.csv |
6TQ4-SOG | data/6T/6TQ4-SOG/6TQ4-SOG_ligand.pdbqt | data/6T/6TQ4-SOG/6TQ4-SOG_target.pdbqt | data/6T/6TQ4-SOG/6TQ4-SOG_decoys.pdbqt | data/6T/6TQ4-SOG/6TQ4-SOG_decoy_scores.csv |
6TOI-NQN | data/6T/6TOI-NQN/6TOI-NQN_ligand.pdbqt | data/6T/6TOI-NQN/6TOI-NQN_target.pdbqt | data/6T/6TOI-NQN/6TOI-NQN_decoys.pdbqt | data/6T/6TOI-NQN/6TOI-NQN_decoy_scores.csv |
6TWK-4CS | data/6T/6TWK-4CS/6TWK-4CS_ligand.pdbqt | data/6T/6TWK-4CS/6TWK-4CS_target.pdbqt | data/6T/6TWK-4CS/6TWK-4CS_decoys.pdbqt | data/6T/6TWK-4CS/6TWK-4CS_decoy_scores.csv |
6T0H-M9B | data/6T/6T0H-M9B/6T0H-M9B_ligand.pdbqt | data/6T/6T0H-M9B/6T0H-M9B_target.pdbqt | data/6T/6T0H-M9B/6T0H-M9B_decoys.pdbqt | data/6T/6T0H-M9B/6T0H-M9B_decoy_scores.csv |
6T0E-GCU | data/6T/6T0E-GCU/6T0E-GCU_ligand.pdbqt | data/6T/6T0E-GCU/6T0E-GCU_target.pdbqt | data/6T/6T0E-GCU/6T0E-GCU_decoys.pdbqt | data/6T/6T0E-GCU/6T0E-GCU_decoy_scores.csv |
6T4G-L3E | data/6T/6T4G-L3E/6T4G-L3E_ligand.pdbqt | data/6T/6T4G-L3E/6T4G-L3E_target.pdbqt | data/6T/6T4G-L3E/6T4G-L3E_decoys.pdbqt | data/6T/6T4G-L3E/6T4G-L3E_decoy_scores.csv |
6TG1-N82 | data/6T/6TG1-N82/6TG1-N82_ligand.pdbqt | data/6T/6TG1-N82/6TG1-N82_target.pdbqt | data/6T/6TG1-N82/6TG1-N82_decoys.pdbqt | data/6T/6TG1-N82/6TG1-N82_decoy_scores.csv |
6TUG-AF2 | data/6T/6TUG-AF2/6TUG-AF2_ligand.pdbqt | data/6T/6TUG-AF2/6TUG-AF2_target.pdbqt | data/6T/6TUG-AF2/6TUG-AF2_decoys.pdbqt | data/6T/6TUG-AF2/6TUG-AF2_decoy_scores.csv |
6TS5-NW2 | data/6T/6TS5-NW2/6TS5-NW2_ligand.pdbqt | data/6T/6TS5-NW2/6TS5-NW2_target.pdbqt | data/6T/6TS5-NW2/6TS5-NW2_decoys.pdbqt | data/6T/6TS5-NW2/6TS5-NW2_decoy_scores.csv |
6T10-M6Z | data/6T/6T10-M6Z/6T10-M6Z_ligand.pdbqt | data/6T/6T10-M6Z/6T10-M6Z_target.pdbqt | data/6T/6T10-M6Z/6T10-M6Z_decoys.pdbqt | data/6T/6T10-M6Z/6T10-M6Z_decoy_scores.csv |
6TAN-GDP | data/6T/6TAN-GDP/6TAN-GDP_ligand.pdbqt | data/6T/6TAN-GDP/6TAN-GDP_target.pdbqt | data/6T/6TAN-GDP/6TAN-GDP_decoys.pdbqt | data/6T/6TAN-GDP/6TAN-GDP_decoy_scores.csv |
6T1N-M7Z | data/6T/6T1N-M7Z/6T1N-M7Z_ligand.pdbqt | data/6T/6T1N-M7Z/6T1N-M7Z_target.pdbqt | data/6T/6T1N-M7Z/6T1N-M7Z_decoys.pdbqt | data/6T/6T1N-M7Z/6T1N-M7Z_decoy_scores.csv |
6T1U-FMN | data/6T/6T1U-FMN/6T1U-FMN_ligand.pdbqt | data/6T/6T1U-FMN/6T1U-FMN_target.pdbqt | data/6T/6T1U-FMN/6T1U-FMN_decoys.pdbqt | data/6T/6T1U-FMN/6T1U-FMN_decoy_scores.csv |
6TFI-N6H | data/6T/6TFI-N6H/6TFI-N6H_ligand.pdbqt | data/6T/6TFI-N6H/6TFI-N6H_target.pdbqt | data/6T/6TFI-N6H/6TFI-N6H_decoys.pdbqt | data/6T/6TFI-N6H/6TFI-N6H_decoy_scores.csv |
6TTV-NWW | data/6T/6TTV-NWW/6TTV-NWW_ligand.pdbqt | data/6T/6TTV-NWW/6TTV-NWW_target.pdbqt | data/6T/6TTV-NWW/6TTV-NWW_decoys.pdbqt | data/6T/6TTV-NWW/6TTV-NWW_decoy_scores.csv |
6TXR-O0Q | data/6T/6TXR-O0Q/6TXR-O0Q_ligand.pdbqt | data/6T/6TXR-O0Q/6TXR-O0Q_target.pdbqt | data/6T/6TXR-O0Q/6TXR-O0Q_decoys.pdbqt | data/6T/6TXR-O0Q/6TXR-O0Q_decoy_scores.csv |
6TE6-N4W | data/6T/6TE6-N4W/6TE6-N4W_ligand.pdbqt | data/6T/6TE6-N4W/6TE6-N4W_target.pdbqt | data/6T/6TE6-N4W/6TE6-N4W_decoys.pdbqt | data/6T/6TE6-N4W/6TE6-N4W_decoy_scores.csv |
6T87-URO | data/6T/6T87-URO/6T87-URO_ligand.pdbqt | data/6T/6T87-URO/6T87-URO_target.pdbqt | data/6T/6T87-URO/6T87-URO_decoys.pdbqt | data/6T/6T87-URO/6T87-URO_decoy_scores.csv |
6TOJ-NQQ | data/6T/6TOJ-NQQ/6TOJ-NQQ_ligand.pdbqt | data/6T/6TOJ-NQQ/6TOJ-NQQ_target.pdbqt | data/6T/6TOJ-NQQ/6TOJ-NQQ_decoys.pdbqt | data/6T/6TOJ-NQQ/6TOJ-NQQ_decoy_scores.csv |
6TSH-DGJ | data/6T/6TSH-DGJ/6TSH-DGJ_ligand.pdbqt | data/6T/6TSH-DGJ/6TSH-DGJ_target.pdbqt | data/6T/6TSH-DGJ/6TSH-DGJ_decoys.pdbqt | data/6T/6TSH-DGJ/6TSH-DGJ_decoy_scores.csv |
6TO2-NQ8 | data/6T/6TO2-NQ8/6TO2-NQ8_ligand.pdbqt | data/6T/6TO2-NQ8/6TO2-NQ8_target.pdbqt | data/6T/6TO2-NQ8/6TO2-NQ8_decoys.pdbqt | data/6T/6TO2-NQ8/6TO2-NQ8_decoy_scores.csv |
6T5R-MKN | data/6T/6T5R-MKN/6T5R-MKN_ligand.pdbqt | data/6T/6T5R-MKN/6T5R-MKN_target.pdbqt | data/6T/6T5R-MKN/6T5R-MKN_decoys.pdbqt | data/6T/6T5R-MKN/6T5R-MKN_decoy_scores.csv |
6TON-NR5 | data/6T/6TON-NR5/6TON-NR5_ligand.pdbqt | data/6T/6TON-NR5/6TON-NR5_target.pdbqt | data/6T/6TON-NR5/6TON-NR5_decoys.pdbqt | data/6T/6TON-NR5/6TON-NR5_decoy_scores.csv |
6TLT-MJE | data/6T/6TLT-MJE/6TLT-MJE_ligand.pdbqt | data/6T/6TLT-MJE/6TLT-MJE_target.pdbqt | data/6T/6TLT-MJE/6TLT-MJE_decoys.pdbqt | data/6T/6TLT-MJE/6TLT-MJE_decoy_scores.csv |
3NS9-NS9 | data/3N/3NS9-NS9/3NS9-NS9_ligand.pdbqt | data/3N/3NS9-NS9/3NS9-NS9_target.pdbqt | data/3N/3NS9-NS9/3NS9-NS9_decoys.pdbqt | data/3N/3NS9-NS9/3NS9-NS9_decoy_scores.csv |
3NLX-3XB | data/3N/3NLX-3XB/3NLX-3XB_ligand.pdbqt | data/3N/3NLX-3XB/3NLX-3XB_target.pdbqt | data/3N/3NLX-3XB/3NLX-3XB_decoys.pdbqt | data/3N/3NLX-3XB/3NLX-3XB_decoy_scores.csv |
3NF7-CIW | data/3N/3NF7-CIW/3NF7-CIW_ligand.pdbqt | data/3N/3NF7-CIW/3NF7-CIW_target.pdbqt | data/3N/3NF7-CIW/3NF7-CIW_decoys.pdbqt | data/3N/3NF7-CIW/3NF7-CIW_decoy_scores.csv |
3NDI-SAM | data/3N/3NDI-SAM/3NDI-SAM_ligand.pdbqt | data/3N/3NDI-SAM/3NDI-SAM_target.pdbqt | data/3N/3NDI-SAM/3NDI-SAM_decoys.pdbqt | data/3N/3NDI-SAM/3NDI-SAM_decoy_scores.csv |
3N5V-H4B | data/3N/3N5V-H4B/3N5V-H4B_ligand.pdbqt | data/3N/3N5V-H4B/3N5V-H4B_target.pdbqt | data/3N/3N5V-H4B/3N5V-H4B_decoys.pdbqt | data/3N/3N5V-H4B/3N5V-H4B_decoy_scores.csv |
3N4K-SAH | data/3N/3N4K-SAH/3N4K-SAH_ligand.pdbqt | data/3N/3N4K-SAH/3N4K-SAH_target.pdbqt | data/3N/3N4K-SAH/3N4K-SAH_decoys.pdbqt | data/3N/3N4K-SAH/3N4K-SAH_decoy_scores.csv |
3NHB-ADP | data/3N/3NHB-ADP/3NHB-ADP_ligand.pdbqt | data/3N/3NHB-ADP/3NHB-ADP_target.pdbqt | data/3N/3NHB-ADP/3NHB-ADP_decoys.pdbqt | data/3N/3NHB-ADP/3NHB-ADP_decoy_scores.csv |
3N34-FNU | data/3N/3N34-FNU/3N34-FNU_ligand.pdbqt | data/3N/3N34-FNU/3N34-FNU_target.pdbqt | data/3N/3N34-FNU/3N34-FNU_decoys.pdbqt | data/3N/3N34-FNU/3N34-FNU_decoy_scores.csv |
3NLY-3XC | data/3N/3NLY-3XC/3NLY-3XC_ligand.pdbqt | data/3N/3NLY-3XC/3NLY-3XC_target.pdbqt | data/3N/3NLY-3XC/3NLY-3XC_decoys.pdbqt | data/3N/3NLY-3XC/3NLY-3XC_decoy_scores.csv |
3NLS-016 | data/3N/3NLS-016/3NLS-016_ligand.pdbqt | data/3N/3NLS-016/3NLS-016_target.pdbqt | data/3N/3NLS-016/3NLS-016_decoys.pdbqt | data/3N/3NLS-016/3NLS-016_decoy_scores.csv |
3N3Y-UMP | data/3N/3N3Y-UMP/3N3Y-UMP_ligand.pdbqt | data/3N/3N3Y-UMP/3N3Y-UMP_target.pdbqt | data/3N/3N3Y-UMP/3N3Y-UMP_decoys.pdbqt | data/3N/3N3Y-UMP/3N3Y-UMP_decoy_scores.csv |
3NQ7-BMP | data/3N/3NQ7-BMP/3NQ7-BMP_ligand.pdbqt | data/3N/3NQ7-BMP/3NQ7-BMP_target.pdbqt | data/3N/3NQ7-BMP/3NQ7-BMP_decoys.pdbqt | data/3N/3NQ7-BMP/3NQ7-BMP_decoy_scores.csv |
3NDV-AIC | data/3N/3NDV-AIC/3NDV-AIC_ligand.pdbqt | data/3N/3NDV-AIC/3NDV-AIC_target.pdbqt | data/3N/3NDV-AIC/3NDV-AIC_decoys.pdbqt | data/3N/3NDV-AIC/3NDV-AIC_decoy_scores.csv |
3N6G-H4B | data/3N/3N6G-H4B/3N6G-H4B_ligand.pdbqt | data/3N/3N6G-H4B/3N6G-H4B_target.pdbqt | null | null |
3N1Y-P6G | data/3N/3N1Y-P6G/3N1Y-P6G_ligand.pdbqt | data/3N/3N1Y-P6G/3N1Y-P6G_target.pdbqt | data/3N/3N1Y-P6G/3N1Y-P6G_decoys.pdbqt | data/3N/3N1Y-P6G/3N1Y-P6G_decoy_scores.csv |
3N20-P6G | data/3N/3N20-P6G/3N20-P6G_ligand.pdbqt | data/3N/3N20-P6G/3N20-P6G_target.pdbqt | data/3N/3N20-P6G/3N20-P6G_decoys.pdbqt | data/3N/3N20-P6G/3N20-P6G_decoy_scores.csv |
3N86-RJP | data/3N/3N86-RJP/3N86-RJP_ligand.pdbqt | data/3N/3N86-RJP/3N86-RJP_target.pdbqt | data/3N/3N86-RJP/3N86-RJP_decoys.pdbqt | data/3N/3N86-RJP/3N86-RJP_decoy_scores.csv |
3NPC-B96 | data/3N/3NPC-B96/3NPC-B96_ligand.pdbqt | data/3N/3NPC-B96/3NPC-B96_target.pdbqt | data/3N/3NPC-B96/3NPC-B96_decoys.pdbqt | data/3N/3NPC-B96/3NPC-B96_decoy_scores.csv |
3NOI-1PG | data/3N/3NOI-1PG/3NOI-1PG_ligand.pdbqt | data/3N/3NOI-1PG/3NOI-1PG_target.pdbqt | data/3N/3NOI-1PG/3NOI-1PG_decoys.pdbqt | data/3N/3NOI-1PG/3NOI-1PG_decoy_scores.csv |
3NQR-AMP | data/3N/3NQR-AMP/3NQR-AMP_ligand.pdbqt | data/3N/3NQR-AMP/3NQR-AMP_target.pdbqt | data/3N/3NQR-AMP/3NQR-AMP_decoys.pdbqt | data/3N/3NQR-AMP/3NQR-AMP_decoy_scores.csv |
3N0C-UMP | data/3N/3N0C-UMP/3N0C-UMP_ligand.pdbqt | data/3N/3N0C-UMP/3N0C-UMP_target.pdbqt | data/3N/3N0C-UMP/3N0C-UMP_decoys.pdbqt | data/3N/3N0C-UMP/3N0C-UMP_decoy_scores.csv |
3N82-NAD | data/3N/3N82-NAD/3N82-NAD_ligand.pdbqt | data/3N/3N82-NAD/3N82-NAD_target.pdbqt | data/3N/3N82-NAD/3N82-NAD_decoys.pdbqt | data/3N/3N82-NAD/3N82-NAD_decoy_scores.csv |
3NA4-PE4 | data/3N/3NA4-PE4/3NA4-PE4_ligand.pdbqt | data/3N/3NA4-PE4/3NA4-PE4_target.pdbqt | data/3N/3NA4-PE4/3NA4-PE4_decoys.pdbqt | data/3N/3NA4-PE4/3NA4-PE4_decoy_scores.csv |
3NCQ-ATP | data/3N/3NCQ-ATP/3NCQ-ATP_ligand.pdbqt | data/3N/3NCQ-ATP/3NCQ-ATP_target.pdbqt | data/3N/3NCQ-ATP/3NCQ-ATP_decoys.pdbqt | data/3N/3NCQ-ATP/3NCQ-ATP_decoy_scores.csv |
3NSZ-ANP | data/3N/3NSZ-ANP/3NSZ-ANP_ligand.pdbqt | data/3N/3NSZ-ANP/3NSZ-ANP_target.pdbqt | data/3N/3NSZ-ANP/3NSZ-ANP_decoys.pdbqt | data/3N/3NSZ-ANP/3NSZ-ANP_decoy_scores.csv |
3NBF-8OP | data/3N/3NBF-8OP/3NBF-8OP_ligand.pdbqt | data/3N/3NBF-8OP/3NBF-8OP_target.pdbqt | data/3N/3NBF-8OP/3NBF-8OP_decoys.pdbqt | data/3N/3NBF-8OP/3NBF-8OP_decoy_scores.csv |
3NPA-Z57 | data/3N/3NPA-Z57/3NPA-Z57_ligand.pdbqt | data/3N/3NPA-Z57/3NPA-Z57_target.pdbqt | data/3N/3NPA-Z57/3NPA-Z57_decoys.pdbqt | data/3N/3NPA-Z57/3NPA-Z57_decoy_scores.csv |
3NU4-478 | data/3N/3NU4-478/3NU4-478_ligand.pdbqt | data/3N/3NU4-478/3NU4-478_target.pdbqt | data/3N/3NU4-478/3NU4-478_decoys.pdbqt | data/3N/3NU4-478/3NU4-478_decoy_scores.csv |
3N1C-F6P | data/3N/3N1C-F6P/3N1C-F6P_ligand.pdbqt | data/3N/3N1C-F6P/3N1C-F6P_target.pdbqt | data/3N/3N1C-F6P/3N1C-F6P_decoys.pdbqt | data/3N/3N1C-F6P/3N1C-F6P_decoy_scores.csv |
3NLI-H4B | data/3N/3NLI-H4B/3NLI-H4B_ligand.pdbqt | data/3N/3NLI-H4B/3NLI-H4B_target.pdbqt | null | null |
3NDJ-JHZ | data/3N/3NDJ-JHZ/3NDJ-JHZ_ligand.pdbqt | data/3N/3NDJ-JHZ/3NDJ-JHZ_target.pdbqt | data/3N/3NDJ-JHZ/3NDJ-JHZ_decoys.pdbqt | data/3N/3NDJ-JHZ/3NDJ-JHZ_decoy_scores.csv |
3NVY-QUE | data/3N/3NVY-QUE/3NVY-QUE_ligand.pdbqt | data/3N/3NVY-QUE/3NVY-QUE_target.pdbqt | null | null |
3N6E-XFN | data/3N/3N6E-XFN/3N6E-XFN_ligand.pdbqt | data/3N/3N6E-XFN/3N6E-XFN_target.pdbqt | null | null |
3NTY-5P3 | data/3N/3NTY-5P3/3NTY-5P3_ligand.pdbqt | data/3N/3NTY-5P3/3NTY-5P3_target.pdbqt | data/3N/3NTY-5P3/3NTY-5P3_decoys.pdbqt | data/3N/3NTY-5P3/3NTY-5P3_decoy_scores.csv |
3NR3-PLM | data/3N/3NR3-PLM/3NR3-PLM_ligand.pdbqt | data/3N/3NR3-PLM/3NR3-PLM_target.pdbqt | data/3N/3NR3-PLM/3NR3-PLM_decoys.pdbqt | data/3N/3NR3-PLM/3NR3-PLM_decoy_scores.csv |
3NI5-C1H | data/3N/3NI5-C1H/3NI5-C1H_ligand.pdbqt | data/3N/3NI5-C1H/3NI5-C1H_target.pdbqt | data/3N/3NI5-C1H/3NI5-C1H_decoys.pdbqt | data/3N/3NI5-C1H/3NI5-C1H_decoy_scores.csv |
3NHR-RZW | data/3N/3NHR-RZW/3NHR-RZW_ligand.pdbqt | data/3N/3NHR-RZW/3NHR-RZW_target.pdbqt | data/3N/3NHR-RZW/3NHR-RZW_decoys.pdbqt | data/3N/3NHR-RZW/3NHR-RZW_decoy_scores.csv |
3NRC-NAD | data/3N/3NRC-NAD/3NRC-NAD_ligand.pdbqt | data/3N/3NRC-NAD/3NRC-NAD_target.pdbqt | data/3N/3NRC-NAD/3NRC-NAD_decoys.pdbqt | data/3N/3NRC-NAD/3NRC-NAD_decoy_scores.csv |
3NK0-GP7 | data/3N/3NK0-GP7/3NK0-GP7_ligand.pdbqt | data/3N/3NK0-GP7/3NK0-GP7_target.pdbqt | data/3N/3NK0-GP7/3NK0-GP7_decoys.pdbqt | data/3N/3NK0-GP7/3NK0-GP7_decoy_scores.csv |
3N2U-D3X | data/3N/3N2U-D3X/3N2U-D3X_ligand.pdbqt | data/3N/3N2U-D3X/3N2U-D3X_target.pdbqt | data/3N/3N2U-D3X/3N2U-D3X_decoys.pdbqt | data/3N/3N2U-D3X/3N2U-D3X_decoy_scores.csv |
3NRN-AMP | data/3N/3NRN-AMP/3NRN-AMP_ligand.pdbqt | data/3N/3NRN-AMP/3NRN-AMP_target.pdbqt | data/3N/3NRN-AMP/3NRN-AMP_decoys.pdbqt | data/3N/3NRN-AMP/3NRN-AMP_decoy_scores.csv |
3NUG-NAD | data/3N/3NUG-NAD/3NUG-NAD_ligand.pdbqt | data/3N/3NUG-NAD/3NUG-NAD_target.pdbqt | data/3N/3NUG-NAD/3NUG-NAD_decoys.pdbqt | data/3N/3NUG-NAD/3NUG-NAD_decoy_scores.csv |
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