Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50347948
Substrate
n/a
Meas. Tech.
ChEMBL_755917 (CHEMBL1803726)
IC50
>10000±n/a nM
Citation
 Wu, T; Nagle, A; Kuhen, K; Gagaring, K; Borboa, R; Francek, C; Chen, Z; Plouffe, D; Goh, A; Lakshminarayana, SB; Wu, J; Ang, HQ; Zeng, P; Kang, ML; Tan, W; Tan, M; Ye, N; Lin, X; Caldwell, C; Ek, J; Skolnik, S; Liu, F; Wang, J; Chang, J; Li, C; Hollenbeck, T; Tuntland, T; Isbell, J; Fischli, C; Brun, R; Rottmann, M; Dartois, V; Keller, T; Diagana, T; Winzeler, E; Glynne, R; Tully, DC; Chatterjee, AK Imidazolopiperazines: hit to lead optimization of new antimalarial agents. J Med Chem 54:5116-30 (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:
BDBM50347948
Synonyms:
CHEMBL601821 | GNF-PF-5069
Type:
Small organic molecule
Emp. Form.:
C21H21N5O3
Mol. Mass.:
391.4231
SMILES:
NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: