Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM26468
Substrate
BDBM26480
Meas. Tech.
P450 Inhibition Assay
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
1000±n/a nM
Citation
 Harris, PA; Boloor, A; Cheung, M; Kumar, R; Crosby, RM; Davis-Ward, RG; Epperly, AH; Hinkle, KW; Hunter, RN; Johnson, JH; Knick, VB; Laudeman, CP; Luttrell, DK; Mook, RA; Nolte, RT; Rudolph, SK; Szewczyk, JR; Truesdale, AT; Veal, JM; Wang, L; Stafford, JA Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor. J Med Chem 51:4632-40 (2008) [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:
BDBM26468
Synonyms:
3-({4-[(1,3-dimethyl-1H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide | 3-aminobenzene sulfonamide, 12b
Type:
Small organic molecule
Emp. Form.:
C20H21N7O2S
Mol. Mass.:
423.491
SMILES:
CN(c1ccc2c(C)nn(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM26480
Synonyms:
2-[7-methoxy-2-oxo-4-(trifluoromethyl)-2H-chromen-3-yl]acetic acid | 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid
Type:
Small organic molecule
Emp. Form.:
C13H9F3O5
Mol. Mass.:
302.2028
SMILES:
COc1ccc2c(c(CC(O)=O)c(=O)oc2c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: