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Target
Cytochrome P450 2D6
Ligand
BDBM50134807
Substrate
n/a
Meas. Tech.
ChEMBL_51720 (CHEMBL663535)
IC50
>40000±n/a nM
Citation
 Wu, YJ; He, H; Hu, S; Huang, Y; Scola, PM; Grant-Young, K; Bertekap, RL; Wu, D; Gao, Q; Li, Y; Klakouski, C; Westphal, RS Identification of a potent and selective 5-HT(6) antagonist: one-step synthesis of (E)-3-(benzenesulfonyl)-2- (methylsulfanyl)pyrido[1,2-a]pyrimidin-4-ylidenamine from 2-(benzenesulfonyl)-3,3-bis(methylsulfanyl)acrylonitrile. J Med Chem 46:4834-7 (2003) [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:
BDBM50134807
Synonyms:
3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]pyrimidin-(4E)-ylideneamine | CHEMBL355905
Type:
Small organic molecule
Emp. Form.:
C15H13N3O2S2
Mol. Mass.:
331.413
SMILES:
CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
Structure:
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