Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 1A2
LigandBDBM50033373
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1434292 (CHEMBL3385837)
IC50>10000±n/a nM
Citation Xia, GChen, WZhang, JShao, JZhang, YHuang, WZhang, LQi, WSun, XLi, BXiang, ZMa, CXu, JDeng, HLi, YLi, PMiao, HHan, JLiu, YShen, JYu, Y A chemical tuned strategy to develop novel irreversible EGFR-TK inhibitors with improved safety and pharmacokinetic profiles. J Med Chem57:9889-900 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 1A2
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:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50033373
n/a
NameBDBM50033373
Synonyms:CHEMBL3357641
TypeSmall organic molecule
Emp. Form.C24H24ClF2N5O3
Mol. Mass.503.929
SMILESCN(C)C\C=C(/F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: