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Target
Cytochrome P450 2C19
Ligand
BDBM30130
Substrate
n/a
Meas. Tech.
ChEMBL_1978284 (CHEMBL4611419)
IC50
65±n/a nM
Citation
 Kim, J; Cha, E; Park, WK; Lee, HY; Lim, SM; Kim, HJ; Pae, AN Evaluation of anti-depressant effects of phthalazinone-based triple-acting small molecules against 5-HT Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM30130
Synonyms:
CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine | Prozac | US9120771, Fluoxetine | cid_62857
Type:
Small organic molecule
Emp. Form.:
C17H18F3NO
Mol. Mass.:
309.3261
SMILES:
CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Structure:
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