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Target
Cytochrome P450 2C19
Ligand
BDBM198728
Substrate
n/a
Meas. Tech.
ChEBML_1734358
IC50
>18000±n/a nM
Citation
 Marcin, LR; Warrier, J; Thangathirupathy, S; Shi, J; Karageorge, GN; Pearce, BC; Ng, A; Park, H; Kempson, J; Li, J; Zhang, H; Mathur, A; Reddy, AB; Nagaraju, G; Tonukunuru, G; Gupta, GVRKM; Kamble, M; Mannoori, R; Cheruku, S; Jogi, S; Gulia, J; Bastia, T; Sanmathi, C; Aher, J; Kallem, R; Srikumar, BN; Vijaya, KK; Naidu, PS; Paschapur, M; Kalidindi, N; Vikramadithyan, R; Ramarao, M; Denton, R; Molski, T; Shields, E; Subramanian, M; Zhuo, X; Nophsker, M; Simmermacher, J; Sinz, M; Albright, C; Bristow, LJ; Islam, I; Bronson, JJ; Olson, RE; King, D; Thompson, LA; Macor, JE BMS-986163, a Negative Allosteric Modulator of GluN2B with Potential Utility in Major Depressive Disorder. ACS Med Chem Lett 9:472-477 (2018) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C19
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM198728
Synonyms:
US9221796, 46, P-4
Type:
Small organic molecule
Emp. Form.:
C23H27FN2O2
Mol. Mass.:
382.4711
SMILES:
Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Structure:
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