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Target
Cytochrome P450 2C19
Ligand
BDBM50448495
Substrate
n/a
Meas. Tech.
ChEMBL_1294676 (CHEMBL3128673)
EC50
31000±n/a nM
Citation
 Gentles, RG; Ding, M; Bender, JA; Bergstrom, CP; Grant-Young, K; Hewawasam, P; Hudyma, T; Martin, S; Nickel, A; Regueiro-Ren, A; Tu, Y; Yang, Z; Yeung, KS; Zheng, X; Chao, S; Sun, JH; Beno, BR; Camac, DM; Chang, CH; Gao, M; Morin, PE; Sheriff, S; Tredup, J; Wan, J; Witmer, MR; Xie, D; Hanumegowda, U; Knipe, J; Mosure, K; Santone, KS; Parker, DD; Zhuo, X; Lemm, J; Liu, M; Pelosi, L; Rigat, K; Voss, S; Wang, Y; Wang, YK; Colonno, RJ; Gao, M; Roberts, SB; Gao, Q; Ng, A; Meanwell, NA; Kadow, JF Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem 57:1855-79 (2014) [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:
BDBM50448495
Synonyms:
CHEMBL3126836
Type:
Small organic molecule
Emp. Form.:
C41H47N5O5S
Mol. Mass.:
721.907
SMILES:
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C2CC1CN(Cc1ccccc1)C2)C(=O)NS(=O)(=O)N(C)C |TLB:27:29:42.34.33:31,THB:35:34:29:31|
Structure:
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