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Target
Cytochrome P450 2C9
Ligand
BDBM50506245
Substrate
n/a
Meas. Tech.
ChEMBL_1825300 (CHEMBL4325064)
IC50
>50000±n/a nM
Citation
 Panchaud, P; Surivet, JP; Diethelm, S; Blumstein, AC; Gauvin, JC; Jacob, L; Masse, F; Mathieu, G; Mirre, A; Schmitt, C; Enderlin-Paput, M; Lange, R; Gnerre, C; Seeland, S; Herrmann, C; Locher, HH; Seiler, P; Ritz, D; Rueedi, G Optimization of LpxC Inhibitor Lead Compounds Focusing on Efficacy and Formulation for High Dose Intravenous Administration. J Med Chem 63:88-102 (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:
BDBM50506245
Synonyms:
CHEMBL3754389
Type:
Small organic molecule
Emp. Form.:
C20H22FN3O6S
Mol. Mass.:
451.469
SMILES:
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@@H]1C[C@@]1(F)CO)(C(=O)NO)S(C)(=O)=O |r|
Structure:
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