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Target
Cytochrome P450 2C19
Ligand
BDBM45440
Substrate
n/a
Meas. Tech.
ChEMBL_1886563 (CHEMBL4388240)
IC50
>25000±n/a nM
Citation
 Linciano, P; Pozzi, C; Iacono, LD; di Pisa, F; Landi, G; Bonucci, A; Gul, S; Kuzikov, M; Ellinger, B; Witt, G; Santarem, N; Baptista, C; Franco, C; Moraes, CB; Müller, W; Wittig, U; Luciani, R; Sesenna, A; Quotadamo, A; Ferrari, S; Pöhner, I; Cordeiro-da-Silva, A; Mangani, S; Costantino, L; Costi, MP Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J Med Chem 62:3989-4012 (2019) [PubMed]  Article 
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:
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