Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2C9
LigandBDBM50022309
Substrate/Competitorn/a
Meas. Tech.ChEMBL_51556 (CHEMBL661229)
Ki 19000±n/a nM
Citation Afzelius, L; Zamora, I; Masimirembwa, CM; Karlén, A; Andersson, TB; Mecucci, S; Baroni, M; Cruciani, G Conformer- and alignment-independent model for predicting structurally diverse competitive CYP2C9 inhibitors. J Med Chem47:907-14 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C9
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:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50022309
n/a
NameBDBM50022309
Synonyms:3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-butyl-1,2-diphenylpyrazolidine-3,5-dione | 4-n-Butyl-1,2-diphenyl-3,5-pyrazolidinedione | CHEMBL101 | PHENYLBUTAZONE | Phenylbutazon
TypeSmall organic molecule
Emp. Form.C19H20N2O2
Mol. Mass.308.3743
SMILESCCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: