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Target
Cytochrome P450 2C9
Ligand
BDBM50256073
Substrate
n/a
Meas. Tech.
ChEMBL_515053 (CHEMBL1034795)
IC50
210±n/a nM
Citation
 Sparks, SM; Banker, P; Bickett, DM; Carter, HL; Clancy, DC; Dickerson, SH; Dwornik, KA; Garrido, DM; Golden, PL; Nolte, RT; Peat, AJ; Sheckler, LR; Tavares, FX; Thomson, SA; Wang, L; Weiel, 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 Lett 19:976-80 (2009) [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:
BDBM50256073
Synonyms:
(S)-2-((1s,4R)-4-tert-butylcyclohexyl)-2-(3-(3-(2,4,6-trichlorophenyl)ureido)-2-naphthamido)acetic acid | CHEMBL480733
Type:
Small organic molecule
Emp. Form.:
C30H32Cl3N3O4
Mol. Mass.:
604.952
SMILES:
CC(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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