Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50518710
Substrate
n/a
Meas. Tech.
ChEMBL_1872181 (CHEMBL4373348)
IC50
<100±n/a nM
Citation
 Poslusney, MS; Salovich, JM; Wood, MR; Melancon, BJ; Bollinger, KA; Luscombe, VB; Rodriguez, AL; Engers, DW; Bridges, TM; Niswender, CM; Conn, PJ; Lindsley, CW Novel M Bioorg Med Chem Lett 29:362-366 (2019) [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:
BDBM50518710
Synonyms:
CHEMBL4522777
Type:
Small organic molecule
Emp. Form.:
C15H17ClN4S
Mol. Mass.:
320.84
SMILES:
Cc1nc2sc3c(NCC4CC4)nn(C)c3c2c(C)c1Cl
Structure:
Search PDB for entries with ligand similarity: