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Target
Cytochrome P450 2D6
Ligand
BDBM50597064
Substrate
n/a
Meas. Tech.
ChEMBL_2222747 (CHEMBL5136081)
IC50
>50000±n/a nM
Citation
 Jin, X; Zhao, LM; Wang, S; Huang, WJ; Zhang, YX; Pannecouque, C; De Clercq, E; Chen, FE Structure-Based Discovery of Novel NH J Med Chem 65:8478-8492 (2022) [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:
BDBM50597064
Synonyms:
CHEMBL5200580
Type:
Small organic molecule
Emp. Form.:
C25H18N6O2
Mol. Mass.:
434.4494
SMILES:
COc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C#N
Structure:
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