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Target
Cytochrome P450 2C9
Ligand
BDBM50507816
Substrate
n/a
Meas. Tech.
ChEMBL_1876017 (CHEMBL4377411)
IC50
>40000±n/a nM
Citation
 Wrobleski, ST; Moslin, R; Lin, S; Zhang, Y; Spergel, S; Kempson, J; Tokarski, JS; Strnad, J; Zupa-Fernandez, A; Cheng, L; Shuster, D; Gillooly, K; Yang, X; Heimrich, E; McIntyre, KW; Chaudhry, C; Khan, J; Ruzanov, M; Tredup, J; Mulligan, D; Xie, D; Sun, H; Huang, C; D'Arienzo, C; Aranibar, N; Chiney, M; Chimalakonda, A; Pitts, WJ; Lombardo, L; Carter, PH; Burke, JR; Weinstein, DS Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165. J Med Chem 62:8973-8995 (2019) [PubMed]  Article 
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:
BDBM50507816
Synonyms:
Bms-986165 | Deucravacitinib
Type:
Small organic molecule
Emp. Form.:
C20H22N8O3
Mol. Mass.:
425.459
SMILES:
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Structure:
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