Target
Cytochrome P450 2D6
Ligand
BDBM50177015
Substrate
n/a
Meas. Tech.
ChEMBL_1613612 (CHEMBL3855412)
IC50
>30000±n/a nM
Citation
 Tice, CMNoto, PBFan, KYZhao, WLotesta, SDDong, CMarcus, APZheng, YJChen, GWu, ZVan Orden, RZhou, JBukhtiyarov, YZhao, YLipinski, KHoward, LGuo, JKandpal, GMeng, SHardy, AKrosky, PGregg, RELeftheris, KMcKeever, BMSingh, SBLala, DMcGeehan, GMZhuang, LClaremon, DA Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg Med Chem Lett 26:5044-5050 (2016) [PubMed]  Article 
Target
Name:
Cytochrome P450 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50177015
Synonyms:
CHEMBL3814206 | US10144715, Compound 19-1
Type:
Small organic molecule
Emp. Form.:
C21H27F3N4O4S
Mol. Mass.:
488.524
SMILES:
CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity: