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Target
Cytochrome P450 1A2
Ligand
BDBM50361053
Substrate
n/a
Meas. Tech.
ChEMBL_796317 (CHEMBL1937632)
IC50
>30000±n/a nM
Citation
 Sundar, BG; Bailey, TR; Dunn, DD; Bacon, ER; Salvino, JM; Morton, GC; Aimone, LD; Zeqi, H; Mathiasen, JR; Dicamillo, A; Huffman, MJ; McKenna, BA; Kopec, K; Lu, LD; Brown, R; Qian, J; Angeles, T; Connors, T; Spais, C; Holskin, B; Galinis, D; Duzic, E; Schaffhauser, H; Rosse, GC Novel brain penetrant benzofuropiperidine 5-HT6 receptor antagonists. Bioorg Med Chem Lett 22:120-3 (2011) [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:
BDBM50361053
Synonyms:
CHEMBL1935601
Type:
Small organic molecule
Emp. Form.:
C21H20FNO4S
Mol. Mass.:
401.451
SMILES:
Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Structure:
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