Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM562067
Substrate
n/a
Meas. Tech.
Inhibition of CYP Enzyme Activity In Vitro
IC50
12000±n/a nM
Citation
 Peterson, RT; Asnani, A; Liu, Y; Zheng, B; Wang, Y Tricyclic compounds as Cyp1 inhibitors US Patent  US11396516 Publication Date 7/26/2022 
Target
Name:
Cytochrome P450 2C19
Synonyms:
(S)-limonene 6-monooxygenase | Cytochrome P450-11A | P450-254C | Mephenytoin 4-hydroxylase | (S)-limonene 7-monooxygenase | Cytochrome P450 2C19 (CYP2C19) | CYP2C19 | CYPIIC17 | (R)-limonene 6-monooxygenase | CYPIIC19 | Fenbendazole monooxygenase (4'-hydroxylating) | CP2CJ_HUMAN | Cytochrome P450 2C19 [I331V] | Cytochrome P450-254C | P450-11A
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Human
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM562067
Synonyms:
US11396516, Example 2
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(C)(C)OC(=O)NCCCOc1c2ccoc2cc2oc(=O)ccc12
Structure:
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