Reaction Details
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Cytochrome P450 2C9
Ligand
BDBM355878
Substrate
n/a
Meas. Tech.
ChEMBL_2051238 (CHEMBL4705937)
IC50
>20000±n/a nM
Citation
Quancard, J; Simic, O; Pissot Soldermann, C; Aichholz, R; Blatter, M; Renatus, M; Erbel, P; Melkko, S; Endres, R; Sorge, M; Kieffer, L; Wagner, T; Beltz, K; Mcsheehy, P; Wartmann, M; Régnier, CH; Calzascia, T; Radimerski, T; Bigaud, M; Weiss, A; Bornancin, F; Schlapbach, A Optimization of the J Med Chem 63:14594-14608 (2020) [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:
BDBM355878
Synonyms:
(S)-1-(2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl)-3-(2-(trifluoromethyl)pyridin-4-yl)urea | US10442808, Example 2 | US9815842, Example 2
Type:
Small organic molecule
Emp. Form.:
C16H14ClF3N6O2
Mol. Mass.:
414.77
SMILES:
CO[C@@H](C)c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12 |r|
Structure:
