Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBcl2-associated agonist of cell death
LigandBDBM555339
Substrate/Competitorn/a
Meas. Tech.Homogeneous Time Resolved Fluorescence (HTRF) Assay
IC50<10±n/a nM
Citation Pinchman, JRHuang, PQBunker, KDSit, RKSamatar, AA Benzamide compounds US Patent US11344546 Publication Date 5/31/2022
More Info.:Get all data from this article,  Assay Method
 
Bcl2-associated agonist of cell death
Name:Bcl2-associated agonist of cell death
Synonyms:BAD | BAD_HUMAN | BBC6 | BCL2L8 | Bcl-2-binding component 6 | Bcl-2-like protein 8 | Bcl-XL/Bcl-2-associated death promoter | Bcl2 antagonist of cell death | Bcl2-L-8 | Bcl2-antagonist of cell death (BAD)
Type:PROTEIN
Mol. Mass.:18393.69
Organism:Homo sapiens (Human)
Description:ChEMBL_478760
Residue:168
Sequence:
MFQIPEFEPSEQEDSSSAERGLGPSPAGDGPSGSGKHHRQAPGLLWDASHQQEQPTSSSH
HGGAGAVEIRSRHSSYPAGTEDDEGMGEEPSPFRGRSRSAPPNLWAAQRYGRELRRMSDE
FVDSFKKGLPRPKSAGTATQMRQSSSWTRVFQSWWDRNLGRGSSAPSQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM555339
n/a
NameBDBM555339
Synonyms:(R)-4-(4-((2-(3-(Difluoromethyl)bicyclo[1.1.1]pentan-1-yl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((4-((4-(dimethylamino)-1-(phenylthio)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide | US11344546, Example 63
TypeSmall organic molecule
Emp. Form.C45H56F5N5O5S3
Mol. Mass.938.144
SMILESCN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CC(C)(C)CC2)C23CC(C2)(C3)C(F)F)CC1 |r,t:48|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: