Reaction Details  Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM555343
Substrate
n/a
Meas. Tech.
Homogeneous Time Resolved Fluorescence (HTRF) Assay
IC50
<10±n/a nM
Citation
 Pinchman, JR; Huang, PQ; Bunker, KD; Sit, RK; Samatar, AA Benzamide compounds US Patent  US11344546 Publication Date 5/31/2022
Target
Name:
Apoptosis regulator Bcl-2
Synonyms:
Apoptosis regulator Bcl-2 Protein | B-cell lymphoma 2 protein (Bcl-2) | BCL-2 | BCL2 | BCL2_HUMAN | Bcl-2 Protein
Type:
Homodimer or heterodimer
Mol. Mass.:
26269.11
Organism:
Homo sapiens (Human)
Description:
P10415
Residue:
239
Sequence:
MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
  
Inhibitor
Name:
BDBM555343
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-(ethyl(2-hydroxyethyl)amino)-1-(phenylthio)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide | US11344546, Example 70
Type:
Small organic molecule
Emp. Form.:
C47H60F5N5O6S3
Mol. Mass.:
982.196
SMILES:
CCN(CCO)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:51|
Structure:
Search PDB for entries with ligand similarity: