Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 1A
LigandBDBM50167921
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1574299
IC50 15849±n/a nM
Citation Cheruvallath ZTang MMcBride CKomandla MMiura JTon-Nu TErikson PFeng JFarrell PLawson JDVanderpool DWu YDougan DRPlonowski AHolub CLarson C Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1. Bioorg Med Chem Lett 26:2774-2778 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 1A
Name:Cytochrome P450 1A
Synonyms:CYPIA2 | Cytochrome P450 1A2 | Cytochrome P450 1A2 (CYP1A2)
Type:Enzyme
Mol. Mass.:58310.23
Organism:Homo sapiens (Human)
Description:n/a
Residue:515
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARRFSIN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50167921
n/a
NameBDBM50167921
Synonyms:CHEMBL3800534
TypeSmall organic molecule
Emp. Form.C14H11F3N4O2
Mol. Mass.324.2579
SMILESCOc1ncc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: