Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM213822
Substrate
Tolbutamide
Meas. Tech.
CYP Activity Assay
Temperature
310.15±n/a K
IC50
8.1e+3±n/a nM
Comments
extracted
Citation
 Hargrove, TY; Wawrzak, Z; Alexander, PW; Chaplin, JH; Keenan, M; Charman, SA; Perez, CJ; Waterman, MR; Chatelain, E; Lepesheva, GI Complexes of Trypanosoma cruzi sterol 14a-demethylase (CYP51) with two pyridine-based drug candidates for Chagas disease: structural basis for pathogen selectivity. J Biol Chem 288:31602-15 (2013) [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:
BDBM213822
Synonyms:
EPL-BS0967 (UDD)
Type:
Small organic molecule
Emp. Form.:
C23H20F6N4
Mol. Mass.:
466.4221
SMILES:
FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM50027886
Synonyms:
1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3-(p-tolylsulfonyl)urea | 1-Butyl-3-tosylurea | CHEMBL782 | N-(4-Methylphenylsulfonyl)-N'-butylurea | N-Butyl-N'-(4-methylphenylsulfonyl)urea | N-Butyl-N'-(p-tolylsulfonyl)urea | N-[(butylamino)carbonyl]-4-methylbenzenesulfonamide | N-n-Butyl-N'-tosylurea | Orinase (TN) | TOLBUTAMIDE
Type:
Small organic molecule
Emp. Form.:
C12H18N2O3S
Mol. Mass.:
270.348
SMILES:
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
Structure:
Search PDB for entries with ligand similarity: