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Target
Cytochrome P450 2C19
Ligand
BDBM50584863
Substrate
n/a
Meas. Tech.
ChEMBL_2160811 (CHEMBL5045561)
IC50
>20000±n/a nM
Citation
 Cherney, EC; Zhang, L; Lo, J; Huynh, T; Wei, D; Ahuja, V; Quesnelle, C; Schieven, GL; Futran, A; Locke, GA; Lin, Z; Monereau, L; Chaudhry, C; Blum, J; Li, S; Fereshteh, M; Li-Wang, B; Gangwar, S; Pan, C; Chong, C; Zhu, X; Posy, SL; Sack, JS; Zhang, P; Ruzanov, M; Harner, M; Akhtar, F; Schroeder, GM; Vite, G; Fink, B Discovery of Non-Nucleotide Small-Molecule STING Agonists  J Med Chem 65:3518-3538 (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:
BDBM50584863
Synonyms:
CHEMBL5077683
Type:
Small organic molecule
Emp. Form.:
C18H13ClN4O4
Mol. Mass.:
384.773
SMILES:
Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
Structure:
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