| pdb_id,gene,ligand_selected_ccd,ligand_selection_status,ligand_bearing,boltz2,chai1,esmfold2,openfold3,protenix_v1,boltz2_covered,chai1_covered,esmfold2_covered,openfold3_covered,protenix_v1_covered,covered_by_any_prediction_method,covered_by_all_five_methods |
| 2HI4,CYP1A2,BHF,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 1OG2,CYP2C9,0,heme_only_no_eligible_ligand,False,0.0,0.0,0.0,0.0,0.0,False,False,False,False,False,False,False |
| 1OG5,CYP2C9,SWF,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 1R9O,CYP2C9,FLP,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 4NZ2,CYP2C9,2QJ,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 5A5I,CYP2C9,XI1,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 5A5J,CYP2C9,6YF,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 5K7K,CYP2C9,6RJ,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 5W0C,CYP2C9,9W6,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 5X23,CYP2C9,LSN,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 5X24,CYP2C9,LSN,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 5XXI,CYP2C9,LSN,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 6VLT,CYP2C9,LSN,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 7RL2,CYP2C9,LSN,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 8VX0,CYP2C9,LSN,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 8VZ7,CYP2C9,LSN,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 2F9Q,CYP2D6,0,heme_only_no_eligible_ligand,False,0.0,0.0,0.0,0.0,0.0,False,False,False,False,False,False,False |
| 3QM4,CYP2D6,PN0,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 3TBG,CYP2D6,RTZ,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 3TDA,CYP2D6,PN0,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 4WNT,CYP2D6,AJN,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 4WNU,CYP2D6,QDN,selected_nearest_heme,True,0.0,0.0,0.0,0.0,0.0,False,False,False,False,False,False,False |
| 4WNV,CYP2D6,QI9,selected_nearest_heme,True,0.0,0.0,0.0,0.0,0.0,False,False,False,False,False,False,False |
| 4WNW,CYP2D6,RTZ,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 4XRY,CYP2D6,SI5,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 4XRZ,CYP2D6,SI6,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 5TFT,CYP2D6,P6U,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 5TFU,CYP2D6,P6M,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 6CSB,CYP2D6,RTZ,role_curated_primary_ligand,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 6CSD,CYP2D6,PN0,selected_nearest_heme,True,20.0,20.0,0.0,20.0,20.0,True,True,False,True,True,True,False |
| 1TQN,CYP3A4,0,heme_only_no_eligible_ligand,False,0.0,0.0,0.0,0.0,0.0,False,False,False,False,False,False,False |
| 1W0E,CYP3A4,0,heme_only_no_eligible_ligand,False,0.0,0.0,0.0,0.0,0.0,False,False,False,False,False,False,False |
| 1W0F,CYP3A4,STR,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 1W0G,CYP3A4,MYT,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 2J0D,CYP3A4,ERY,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 2V0M,CYP3A4,KLN,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 3NXU,CYP3A4,RIT,selected_nearest_heme_completed_pilot,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 3TJS,CYP3A4,D0R,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 3UA1,CYP3A4,08Y,selected_nearest_heme_completed_pilot,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 4D6Z,CYP3A4,PK9,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 4D75,CYP3A4,PK9,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 4D78,CYP3A4,J9K,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 4D7D,CYP3A4,PKT,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 4I3Q,CYP3A4,0,heme_only_no_eligible_ligand,False,0.0,0.0,0.0,0.0,0.0,False,False,False,False,False,False,False |
| 4I4G,CYP3A4,Z8Z,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 4I4H,CYP3A4,Z9Z,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 4K9T,CYP3A4,1RD,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 4K9U,CYP3A4,5AW,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 4K9V,CYP3A4,6AW,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 4K9W,CYP3A4,7AW,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 4K9X,CYP3A4,8AW,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 4NY4,CYP3A4,2QH,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 5A1P,CYP3A4,STR,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 5A1R,CYP3A4,STR,selected_nearest_heme_completed_pilot,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 5G5J,CYP3A4,MF8,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 5TE8,CYP3A4,08J,selected_nearest_heme_completed_pilot,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 5VC0,CYP3A4,RIT,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 5VCC,CYP3A4,0,heme_only_no_eligible_ligand,False,0.0,0.0,0.0,0.0,0.0,False,False,False,False,False,False,False |
| 5VCD,CYP3A4,0,heme_only_no_eligible_ligand,False,0.0,0.0,0.0,0.0,0.0,False,False,False,False,False,False,False |
| 5VCE,CYP3A4,RIT,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 5VCG,CYP3A4,08Y,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6BCZ,CYP3A4,D7Y,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6BD5,CYP3A4,D7M,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6BD6,CYP3A4,80K,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6BD7,CYP3A4,D7J,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6BD8,CYP3A4,D81,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6BDH,CYP3A4,DEV,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6BDI,CYP3A4,DEJ,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6BDK,CYP3A4,DJ1,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6BDM,CYP3A4,Y83,selected_nearest_heme_completed_pilot,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6DA2,CYP3A4,G0D,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6DA3,CYP3A4,G0D,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6DA5,CYP3A4,G1J,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6DA8,CYP3A4,G0J,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6DAA,CYP3A4,G0M,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6DAB,CYP3A4,G0V,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6DAC,CYP3A4,FZV,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6DAG,CYP3A4,G0Y,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6DAJ,CYP3A4,FZV,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6DAL,CYP3A4,G1D,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6MA6,CYP3A4,MYT,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6MA7,CYP3A4,TPF,selected_nearest_heme_completed_pilot,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6MA8,CYP3A4,PMF,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6OO9,CYP3A4,MWV,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6OOA,CYP3A4,MWY,selected_nearest_heme_completed_pilot,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6OOB,CYP3A4,MWS,selected_nearest_heme_completed_pilot,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6UNE,CYP3A4,QES,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6UNG,CYP3A4,QEP,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6UNH,CYP3A4,QEA,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6UNI,CYP3A4,QDV,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6UNJ,CYP3A4,QDY,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6UNK,CYP3A4,QE4,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6UNL,CYP3A4,QDJ,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 6UNM,CYP3A4,QDP,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7KS8,CYP3A4,X8S,selected_nearest_heme,True,0.0,20.0,50.0,20.0,20.0,False,True,True,True,True,True,False |
| 7KSA,CYP3A4,X8P,selected_nearest_heme,True,0.0,20.0,50.0,20.0,20.0,False,True,True,True,True,True,False |
| 7KVH,CYP3A4,X5Y,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7KVI,CYP3A4,X7P,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7KVJ,CYP3A4,X7M,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7KVK,CYP3A4,X7J,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7KVM,CYP3A4,X71,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7KVN,CYP3A4,X6V,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7KVO,CYP3A4,X6S,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7KVP,CYP3A4,X6J,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7KVQ,CYP3A4,X7D,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7KVS,CYP3A4,X74,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7LXL,CYP3A4,YNV,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7UAY,CYP3A4,O39,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7UAZ,CYP3A4,O3L,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7UF9,CYP3A4,NH0,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7UFA,CYP3A4,NI6,selected_nearest_heme_completed_pilot,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7UFB,CYP3A4,NJ0,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7UFC,CYP3A4,NJO,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7UFD,CYP3A4,T0K,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7UFE,CYP3A4,NXR,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 7UFF,CYP3A4,NYF,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 8DYC,CYP3A4,UC7,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 8EWD,CYP3A4,WZN,selected_nearest_heme,True,0.0,20.0,50.0,20.0,20.0,False,True,True,True,True,True,False |
| 8EWE,CYP3A4,X0E,selected_nearest_heme,True,0.0,20.0,50.0,20.0,20.0,False,True,True,True,True,True,False |
| 8EWL,CYP3A4,X1C,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 8EWM,CYP3A4,X1I,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 8EWN,CYP3A4,X1O,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 8EWP,CYP3A4,X2Q,selected_nearest_heme,True,0.0,20.0,50.0,20.0,20.0,False,True,True,True,True,True,False |
| 8EWQ,CYP3A4,X2B,selected_nearest_heme,True,0.0,20.0,50.0,20.0,20.0,False,True,True,True,True,True,False |
| 8EWR,CYP3A4,WZN,selected_nearest_heme,True,0.0,20.0,50.0,20.0,20.0,False,True,True,True,True,True,False |
| 8EWS,CYP3A4,X2Q,selected_nearest_heme,True,0.0,20.0,50.0,20.0,20.0,False,True,True,True,True,True,False |
| 8EXB,CYP3A4,X4E,selected_nearest_heme,True,0.0,20.0,50.0,20.0,20.0,False,True,True,True,True,True,False |
| 8SO1,CYP3A4,CFF,selected_nearest_heme_completed_pilot,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 8SO2,CYP3A4,CFF,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 8SPD,CYP3A4,CL6,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9BBB,CYP3A4,A1APA,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9BV5,CYP3A4,A1ASV,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9BV6,CYP3A4,A1ASU,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9BV7,CYP3A4,A1AST,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9BV8,CYP3A4,A1ASS,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9BV9,CYP3A4,A1ASR,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9BVA,CYP3A4,A1ASQ,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9BVB,CYP3A4,A1ASP,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9BVC,CYP3A4,A1ASO,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9COR,CYP3A4,A1A07,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9COS,CYP3A4,A1A06,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9COT,CYP3A4,A1A08,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9COU,CYP3A4,A1A4U,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9COV,CYP3A4,A1A4S,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9COW,CYP3A4,A1A4V,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9COX,CYP3A4,A1A4K,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9COY,CYP3A4,A1A4T,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
| 9GK1,CYP3A4,0,heme_only_no_eligible_ligand,False,0.0,0.0,0.0,0.0,0.0,False,False,False,False,False,False,False |
| 9MS1,CYP3A4,A1BNX,selected_nearest_heme,True,20.0,20.0,50.0,20.0,20.0,True,True,True,True,True,True,True |
|
|
