Target
Cytochrome P450 1A2
Ligand
BDBM50347939
Substrate
n/a
Meas. Tech.
ChEMBL_755917 (CHEMBL1803726)
IC50
>8900±n/a nM
Citation
 Wu, TNagle, AKuhen, KGagaring, KBorboa, RFrancek, CChen, ZPlouffe, DGoh, ALakshminarayana, SBWu, JAng, HQZeng, PKang, MLTan, WTan, MYe, NLin, XCaldwell, CEk, JSkolnik, SLiu, FWang, JChang, JLi, CHollenbeck, TTuntland, TIsbell, JFischli, CBrun, RRottmann, MDartois, VKeller, TDiagana, TWinzeler, EGlynne, RTully, DCChatterjee, 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:
BDBM50347939
Synonyms:
CHEMBL1800137
Type:
Small organic molecule
Emp. Form.:
C22H23F2N5O
Mol. Mass.:
411.4477
SMILES:
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: