Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Cytochrome P450 2C19
Ligand
BDBM45440
Substrate
n/a
Meas. Tech.
ChEMBL_1649456 (CHEMBL3998590)
IC50
>100000±n/a nM
Citation
Borsari, C; Santarem, N; Torrado, J; Olías, AI; Corral, MJ; Baptista, C; Gul, S; Wolf, M; Kuzikov, M; Ellinger, B; Witt, G; Gribbon, P; Reinshagen, J; Linciano, P; Tait, A; Costantino, L; Freitas-Junior, LH; Moraes, CB; Bruno Dos Santos, P; Alcântara, LM; Franco, CH; Bertolacini, CD; Fontana, V; Tejera Nevado, P; Clos, J; Alunda, JM; Cordeiro-da-Silva, A; Ferrari, S; Costi, MP Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds. Eur J Med Chem 126:1129-1135 (2017) [PubMed] Article More Info.:
Target
Name:
Cytochrome P450 2C19
Synonyms:
CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
Inhibitor
Name:
BDBM45440
Synonyms:
4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydroxyethanesulfonic acid | 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid | 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-oxidanylethanesulfonic acid | CHEMBL494163 | MLS000028738 | PENTAMIDINE | PENTAMIDINE ISETHIONATE | SMR000059147 | cid_359323
Type:
Small organic molecule
Emp. Form.:
C19H24N4O2
Mol. Mass.:
340.4195
SMILES:
NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Structure:
