Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 1A
LigandBDBM50307942
Substrate/Competitorn/a
Meas. Tech.ChEMBL_608355
IC50>10000±n/a nM
Citation McHardy TCaldwell JJCheung KMHunter LJTaylor KRowlands MRuddle RHenley Ade Haven Brandon AValenti MDavies TGFazal LSeavers LRaynaud FIEccles SAAherne GWGarrett MDCollins I Discovery of 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides as selective, orally active inhibitors of protein kinase B (Akt). J Med Chem 53:2239-49 (2010) [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:
BDBM50307942
n/a
NameBDBM50307942
Synonyms:4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide | CHEMBL598194 | US8796293, 69
TypeSmall organic molecule
Emp. Form.C19H21ClN6O
Mol. Mass.384.863
SMILESNC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NCc1ccc(Cl)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: