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Target
Cytochrome P450 2C9
Ligand
BDBM50203302
Substrate
n/a
Meas. Tech.
ChEMBL_425258 (CHEMBL856834)
IC50
500±n/a nM
Citation
 Liverton, NJ; Bednar, RA; Bednar, B; Butcher, JW; Claiborne, CF; Claremon, DA; Cunningham, M; DiLella, AG; Gaul, SL; Libby, BE; Lyle, EA; Lynch, JJ; McCauley, JA; Mosser, SD; Nguyen, KT; Stump, GL; Sun, H; Wang, H; Yergey, J; Koblan, KS Identification and characterization of 4-methylbenzyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate, an orally bioavailable, brain penetrant NR2B selective N-methyl-D-aspartate receptor antagonist. J Med Chem 50:807-19 (2007) [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:
BDBM50203302
Synonyms:
CHEMBL218068 | benzyl 4-[(pyrimidin-4-ylamino)methyl]piperidine-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C18H22N4O2
Mol. Mass.:
326.3929
SMILES:
O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1
Structure:
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