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Target
Cytochrome P450 2C9
Ligand
BDBM50566354
Substrate
n/a
Meas. Tech.
ChEMBL_2100082 (CHEMBL4808478)
IC50
>20000±n/a nM
Citation
 Priebbenow, DL; Mathiew, M; Shi, DH; Harjani, JR; Beveridge, JG; Chavchich, M; Edstein, MD; Duffy, S; Avery, VM; Jacobs, RT; Brand, S; Shackleford, DM; Wang, W; Zhong, L; Lee, G; Tay, E; Barker, H; Crighton, E; White, KL; Charman, SA; De Paoli, A; Creek, DJ; Baell, JB Discovery of Potent and Fast-Acting Antimalarial Bis-1,2,4-triazines. J Med Chem 64:4150-4162 (2021) [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:
Human
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50566354
Synonyms:
CHEMBL4853103
Type:
Small organic molecule
Emp. Form.:
C13H19N7O2
Mol. Mass.:
305.3357
SMILES:
CCCOc1nncc(n1)-c1cnnc(OCCN(C)C)n1
Structure:
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