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Target
Cytochrome P450 2C19
Ligand
BDBM50600525
Substrate
n/a
Meas. Tech.
ChEMBL_2234459 (CHEMBL5148231)
IC50
3700±n/a nM
Citation
 Tamura, Y; Morita, I; Hinata, Y; Kojima, E; Ozasa, H; Ikemoto, H; Asano, M; Wada, T; Hayasaki-Kajiwara, Y; Iwasaki, T; Matsumura, K Identification of novel indole derivatives as highly potent AMPK activators with anti-diabetic profiles. Bioorg Med Chem Lett 68:0 (2022) [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:
BDBM50600525
Synonyms:
CHEMBL5204493
Type:
Small organic molecule
Emp. Form.:
C29H28FN3O5S
Mol. Mass.:
549.613
SMILES:
[H][C@]12OC[C@@H](Oc3cc4nc(c(F)cc4[nH]3)-c3ccc(cc3)-c3ccc(cc3)N=S3(=O)CCCC3)[C@@]1([H])OC[C@H]2O |r|
Structure:
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