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Target
Cytochrome P450 2C9
Ligand
BDBM50555368
Substrate
n/a
Meas. Tech.
ChEMBL_2051776 (CHEMBL4706777)
IC50
18500±n/a nM
Citation
 Kokkonda, S; Deng, X; White, KL; Coteron, JM; Marco, M; de Las Heras, L; White, J; El Mazouni, F; Tomchick, DR; Manjalanagara, K; Rudra, KR; Chen, G; Morizzi, J; Ryan, E; Kaminsky, W; Leroy, D; Martínez-Martínez, MS; Jimenez-Diaz, MB; Bazaga, SF; Angulo-Barturen, I; Waterson, D; Burrows, JN; Matthews, D; Charman, SA; Phillips, MA; Rathod, PK Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity. J Med Chem 59:5416-31 (2016) [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:
BDBM50555368
Synonyms:
CHEMBL4794107
Type:
Small organic molecule
Emp. Form.:
C17H15F4N5
Mol. Mass.:
365.3281
SMILES:
Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(nc2n1)C(C)(F)F
Structure:
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