Reaction Details
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Cytochrome P450 2C9
Ligand
BDBM409482
Substrate
n/a
Meas. Tech.
ChEMBL_1839446 (CHEMBL4339661)
IC50
8700±n/a nM
Citation
Chrovian, CC; Soyode-Johnson, A; Wall, JL; Rech, JC; Schoellerman, J; Lord, B; Coe, KJ; Carruthers, NI; Nguyen, L; Jiang, X; Koudriakova, T; Balana, B; Letavic, MA 1 ACS Med Chem Lett 10:261-266 (2019) [PubMed] Article More Info.:
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:
BDBM409482
Synonyms:
1-(3-Fluoroazetidin-1-yl)-2-[6-(4-fluoro-3-methyl- | US10377753, Example 347
Type:
Small organic molecule
Emp. Form.:
C19H17F2N3O
Mol. Mass.:
341.3546
SMILES:
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1
Structure:
