Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50448621
Substrate
n/a
Meas. Tech.
ChEMBL_1624782 (CHEMBL3867194)
IC50
>10000±n/a nM
Citation
 Zak, M; Yuen, PW; Liu, X; Patel, S; Sampath, D; Oeh, J; Liederer, BM; Wang, W; O'Brien, T; Xiao, Y; Skelton, N; Hua, R; Sodhi, J; Wang, Y; Zhang, L; Zhao, G; Zheng, X; Ho, YC; Bair, KW; Dragovich, PS Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors. J Med Chem 59:8345-68 (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:
BDBM50448621
Synonyms:
CHEMBL3127521
Type:
Small organic molecule
Emp. Form.:
C21H18N2O3S
Mol. Mass.:
378.444
SMILES:
O=C(Nc1ccc(cc1)S(=O)(=O)c1ccccc1)[C@H]1C[C@@H]1c1cccnc1 |r|
Structure:
Search PDB for entries with ligand similarity: