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Target
Cytochrome P450 2C9
Ligand
BDBM50549046
Substrate
n/a
Meas. Tech.
ChEMBL_2023735 (CHEMBL4677548)
IC50
>10000±n/a nM
Citation
 Martínez-Viturro, CM; Trabanco, AA; Royes, J; Fernández, E; Tresadern, G; Vega, JA; Del Cerro, A; Delgado, F; García Molina, A; Tovar, F; Shaffer, P; Ebneth, A; Bretteville, A; Mertens, L; Somers, M; Alonso, JM; Bartolomé-Nebreda, JM Diazaspirononane Nonsaccharide Inhibitors of O-GlcNAcase (OGA) for the Treatment of Neurodegenerative Disorders. J Med Chem 63:14017-14044 (2020) [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:
BDBM50549046
Synonyms:
CHEMBL4741417
Type:
Small organic molecule
Emp. Form.:
C23H27N5OS
Mol. Mass.:
421.558
SMILES:
CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)nc4ccccc34)C2)s1
Structure:
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