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Target
Cytochrome P450 2C19
Ligand
BDBM21358
Substrate
BDBM21361
Meas. Tech.
Cytochrome P450 Inhibition
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
112000±n/a nM
Citation
 Cole, DC; Stock, JR; Lennox, WJ; Bernotas, RC; Ellingboe, JW; Boikess, S; Coupet, J; Smith, DL; Leung, L; Zhang, GM; Feng, X; Kelly, MF; Galante, R; Huang, P; Dawson, LA; Marquis, K; Rosenzweig-Lipson, S; Beyer, CE; Schechter, LE Discovery of N1-(6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl)tryptamine as a potent, selective, and orally active 5-HT(6) receptor agonist. J Med Chem 50:5535-8 (2007) [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:
BDBM21358
Synonyms:
2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulfonyl)-1H-indol-3-yl]ethan-1-amine | N1-(6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl)tryptamine | SAX-187 | WAY-181187
Type:
Small organic molecule
Emp. Form.:
C15H13ClN4O2S2
Mol. Mass.:
380.872
SMILES:
NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21361
Synonyms:
(5S)-5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedione | (5S)-5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione | Mephenytoin, D- | S-Mephenytoin | S-mephentoin
Type:
Small organic molecule
Emp. Form.:
C12H14N2O2
Mol. Mass.:
218.2518
SMILES:
CC[C@]1(NC(=O)N(C)C1=O)c1ccccc1
Structure:
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