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Target
Cytochrome P450 2C9
Ligand
BDBM50514105
Substrate
n/a
Meas. Tech.
ChEMBL_1855670 (CHEMBL4356399)
IC50
>25000±n/a nM
Citation
 Wágner, G; Mocking, TAM; Arimont, M; Provensi, G; Rani, B; Silva-Marques, B; Latacz, G; Da Costa Pereira, D; Karatzidou, C; Vischer, HF; Wijtmans, M; Kie?-Kononowicz, K; de Esch, IJP; Leurs, R 4-(3-Aminoazetidin-1-yl)pyrimidin-2-amines as High-Affinity Non-imidazole Histamine H J Med Chem 62:10848-10866 (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:
BDBM50514105
Synonyms:
CHEMBL4441731
Type:
Small organic molecule
Emp. Form.:
C14H23N5O5
Mol. Mass.:
341.3629
SMILES:
O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1
Structure:
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