Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50499992
Substrate
n/a
Meas. Tech.
ChEMBL_1541292 (CHEMBL3742832)
IC50
24200±n/a nM
Citation
 Landge, S; Mullick, AB; Nagalapur, K; Neres, J; Subbulakshmi, V; Murugan, K; Ghosh, A; Sadler, C; Fellows, MD; Humnabadkar, V; Mahadevaswamy, J; Vachaspati, P; Sharma, S; Kaur, P; Mallya, M; Rudrapatna, S; Awasthy, D; Sambandamurthy, VK; Pojer, F; Cole, ST; Balganesh, TS; Ugarkar, BG; Balasubramanian, V; Bandodkar, BS; Panda, M; Ramachandran, V Discovery of benzothiazoles as antimycobacterial agents: Synthesis, structure-activity relationships and binding studies with Mycobacterium tuberculosis decaprenylphosphoryl-?-D-ribose 2'-oxidase. Bioorg Med Chem 23:7694-710 (2015) [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:
BDBM50499992
Synonyms:
CHEMBL3739863
Type:
Small organic molecule
Emp. Form.:
C16H13F3N4O4S
Mol. Mass.:
414.359
SMILES:
[O-][N+](=O)c1cc(cc2nc(sc12)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:14|
Structure:
Search PDB for entries with ligand similarity: