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Target
Cytochrome P450 1A2
Ligand
BDBM50188049
Substrate
n/a
Meas. Tech.
ChEMBL_379075 (CHEMBL864245)
IC50
>30000±n/a nM
Citation
 Fray, MJ; Bish, G; Fish, PV; Stobie, A; Wakenhut, F; Whitlock, GA Structure-activity relationships of N-substituted piperazine amine reuptake inhibitors. Bioorg Med Chem Lett 16:4349-53 (2006) [PubMed]  Article 
Target
Name:
Cytochrome P450 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM50188049
Synonyms:
1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | CHEMBL213287 | CHEMBL534942
Type:
Small organic molecule
Emp. Form.:
C18H21ClN2
Mol. Mass.:
300.826
SMILES:
Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: