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Target
Cytochrome P450 2C19
Ligand
BDBM81244
Substrate
n/a
Meas. Tech.
ChEMBL_1813600 (CHEMBL4313174)
IC50
10000±n/a nM
Citation
 Elmenoufy, AH; Gentile, F; Jay, D; Karimi-Busheri, F; Yang, X; Soueidan, OM; Weilbeer, C; Mani, RS; Barakat, KH; Tuszynski, JA; Weinfeld, M; West, FG Targeting DNA Repair in Tumor Cells via Inhibition of ERCC1-XPF. J Med Chem 62:7684-7696 (2019) [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:
Human
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM81244
Synonyms:
4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol | 4-[(6-chloro-2-methoxy-9-acridinyl)amino]-2-[(4-methyl-1-piperazinyl)methyl]phenol | 4-[(6-chloro-2-methoxy-acridin-9-yl)amino]-2-[(4-methylpiperazino)methyl]phenol | 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol | MLS002701988 | SMR001565565 | cid_421105
Type:
Small organic molecule
Emp. Form.:
C26H27ClN4O2
Mol. Mass.:
462.971
SMILES:
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1
Structure:
Search PDB for entries with ligand similarity: