Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50318664
Substrate
n/a
Meas. Tech.
ChEMBL_633293 (CHEMBL1119997)
IC50
7350±n/a nM
Citation
 Yeung, BK; Zou, B; Rottmann, M; Lakshminarayana, SB; Ang, SH; Leong, SY; Tan, J; Wong, J; Keller-Maerki, S; Fischli, C; Goh, A; Schmitt, EK; Krastel, P; Francotte, E; Kuhen, K; Plouffe, D; Henson, K; Wagner, T; Winzeler, EA; Petersen, F; Brun, R; Dartois, V; Diagana, TT; Keller, TH Spirotetrahydro beta-carbolines (spiroindolones): a new class of potent and orally efficacious compounds for the treatment of malaria. J Med Chem 53:5155-64 (2010) [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:
BDBM50318664
Synonyms:
(1R,3S)-5'-Chloro-6,7-difluoro-3-methyl-2,3,4,9-tetrahydrospiro-[beta-carboline-1,3'-indol]-2'(1'H)-one | CHEMBL1082725
Type:
Small organic molecule
Emp. Form.:
C19H14ClF2N3O
Mol. Mass.:
373.784
SMILES:
C[C@H]1Cc2c([nH]c3cc(F)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Structure:
Search PDB for entries with ligand similarity: