Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM189769
Substrate
n/a
Meas. Tech.
TBDTR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) Assay
Ki
<0.010±n/a nM
Citation
 Birtalan, E; Hoelig, P; Lindley, DJ; Sanzgiri, YD; Tong, P Melt-extruded solid dispersions containing an apoptosis-inducing agent US Patent  US11369599 Publication Date 6/28/2022 
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:
BDBM189769
Synonyms:
US10213433, Compound 340 | US11369599, Compound 340 | US20240043404, Example 340 | US9174982, 340
Type:
Small organic molecule
Emp. Form.:
C51H58ClN9O6S
Mol. Mass.:
960.581
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N(CCC#N)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:65,(11.49,-10.55,;10.67,-9.24,;12.21,-9.29,;10.67,-7.7,;9.34,-6.93,;8,-7.7,;6.67,-6.93,;6.67,-5.39,;8,-4.62,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-.77,;8,,;8,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;8,4.62,;8,6.16,;9.54,6.16,;6.46,6.16,;8,7.7,;6.67,8.47,;6.67,10.01,;8,10.78,;8,12.32,;6.67,13.09,;5.33,12.32,;4,13.09,;4,14.63,;5.33,15.4,;6.67,14.63,;2.67,15.4,;2.67,16.94,;1.33,17.71,;1.33,19.25,;1.33,20.79,;1.33,14.63,;.56,13.3,;-.21,14.63,;9.34,10.01,;9.34,8.47,;10.67,10.78,;10.67,12.32,;12,10.01,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;5.33,,;8,-9.24,;9.34,-10.01,;6.67,-10.01,;6.67,-11.55,;5.33,-12.32,;4,-11.55,;2.67,-12.32,;4,-10.01,;5.33,-9.24,)|
Structure:
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