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Target
Cytochrome P450 2C19
Ligand
BDBM50551100
Substrate
n/a
Meas. Tech.
ChEMBL_2030245 (CHEMBL4684403)
IC50
>10000±n/a nM
Citation
 Ivashchenko, AA; Ivanenkov, YA; Koryakova, AG; Karapetian, RN; Mitkin, OD; Aladinskiy, VA; Kravchenko, DV; Savchuk, NP; Ivashchenko, AV Synthesis, biological evaluation and in silico modeling of novel integrase strand transfer inhibitors (INSTIs). Eur J Med Chem 189:0 (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:
BDBM50551100
Synonyms:
CHEMBL4784137
Type:
Small organic molecule
Emp. Form.:
C19H17N5O6
Mol. Mass.:
411.3682
SMILES:
[H][C@@]12Cn3cc(C(=O)NCc4ccc5nonc5c4)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2 |r|
Structure:
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