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TargetCytochrome P450 2C9
LigandBDBM50256073
Substrate/Competitorn/a
Meas. Tech.ChEMBL_515053
IC50 210±n/a nM
Citation Sparks, SMBanker, PBickett, DMCarter, HLClancy, DCDickerson, SHDwornik, KAGarrido, DMGolden, PLNolte, RTPeat, AJSheckler, LRTavares, FXThomson, SAWang, LWeiel, JE Anthranilimide-based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes: 1. Identification of 1-amino-1-cycloalkyl carboxylic acid headgroups. Bioorg Med Chem Lett19:976-80 (2009) [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 | CYPIIC9 | Cytochrome P450 1A2 (CYP1A2) | 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:
BDBM50256073
NameBDBM50256073
Synonyms:(S)-2-((1s,4R)-4-tert-butylcyclohexyl)-2-(3-(3-(2,4,6-trichlorophenyl)ureido)-2-naphthamido)acetic acid | CHEMBL480733
TypeSmall organic molecule
Emp. Form.C30H32Cl3N3O4
Mol. Mass.604.952
SMILESCC(C)(C)[C@@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(O)=O |r,wU:10.11,7.7,4.3,(7.44,-29.48,;7.45,-31.02,;8.99,-31.01,;5.91,-31.03,;7.46,-32.56,;6.13,-33.33,;6.13,-34.88,;7.46,-35.63,;8.8,-34.86,;8.79,-33.33,;7.47,-37.17,;6.14,-37.95,;6.15,-39.49,;7.49,-40.25,;4.82,-40.27,;3.48,-39.51,;2.16,-40.28,;.82,-39.52,;-.51,-40.29,;-.51,-41.83,;.82,-42.6,;2.16,-41.83,;3.49,-42.59,;4.83,-41.82,;6.16,-42.58,;6.17,-44.12,;4.84,-44.9,;7.51,-44.89,;7.51,-46.43,;6.18,-47.2,;4.84,-46.43,;6.19,-48.74,;7.52,-49.5,;7.53,-51.04,;8.86,-48.72,;8.85,-47.18,;10.17,-46.4,;8.81,-37.93,;8.82,-39.47,;10.14,-37.16,)|
Structure
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