Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50613916
Substrate
n/a
Meas. Tech.
ChEMBL_2294677
IC50
500±n/a nM
Citation
 Kang, BN; Kang, HJ; Kim, S; Lee, J; Lee, J; Jeong, HJ; Jeon, S; Shin, Y; Yoon, C; Han, C; Seo, J; Yun, J Synthesis and biological evaluation of N-(3-fluorobenzyl)-4-(1-(methyl-d Bioorg Med Chem Lett 85:0 (2023) [PubMed] 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50613916
Synonyms:
CHEMBL5278659
Type:
Small organic molecule
Emp. Form.:
C23H18ClFN6
Mol. Mass.:
432.881
SMILES:
Cc1cccc(n1)-c1[nH]c(NCc2cccc(Cl)c2F)nc1-c1ccc2[nH]ncc2c1
Structure:
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