Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBcl-xL/BAK
LigandBDBM21432
Substrate/Competitorn/a
Meas. Tech.ChEMBL_687845
EC50 159.96±n/a nM
Citation Almerico, AMTutone, MLauria, A 3D-QSAR pharmacophore modeling and in silico screening of new Bcl-xl inhibitors. Eur J Med Chem45:4774-82 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Bcl-xL/BAK
Name:Bcl-xL/BAK
Synonyms:Anti-apoptotic Bcl-2 protein | Apoptosis Regulator Bcl-xL | Apoptosis regulator Bcl-X | BCL2-like 1 isoform 1 | Bcl-2-like protein 1 | Bcl-2-like protein 1 (Bcl-XL) | Bcl2-L-1 | Bcl2-antagonist of cell death (BAD)
Type:Mitochondrion membrane; Single-pass membrane protein
Mol. Mass.:26039.60
Organism:Homo sapiens
Description:n/a
Residue:233
Sequence:
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLA
DSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAY
QSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEP
WIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM21432
NameBDBM21432
Synonyms:4-Piperidinebenzylidene derivative, 10k | N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-{4-[(2-phenylphenyl)methylidene]piperidin-1-yl}benzamide
TypeSmall organic molecule
Emp. Form.C43H45N5O5S2
Mol. Mass.775.978
SMILES[#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1-c1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a