Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM189772
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:
BDBM189772
Synonyms:
US11369599, Compound 352 | US9174982, 344 | US9174982, 352
Type:
Small organic molecule
Emp. Form.:
C47H53ClN6O8S
Mol. Mass.:
897.477
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCC(C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59,(8.08,-9.06,;7.26,-7.76,;8.8,-7.81,;7.26,-6.22,;5.93,-5.45,;4.59,-6.22,;3.26,-5.45,;3.26,-3.91,;4.59,-3.14,;4.59,-1.6,;3.26,-.83,;1.92,-1.6,;1.92,-3.14,;3.26,.71,;4.59,1.48,;4.59,3.02,;3.26,3.79,;3.26,5.33,;4.59,6.1,;1.92,6.1,;1.92,7.64,;1.92,9.18,;3.46,7.64,;.38,7.64,;-.39,6.31,;-1.93,6.31,;-2.7,7.64,;-4.24,7.64,;-5.01,6.31,;-6.55,6.31,;-7.32,4.97,;-8.86,4.97,;-9.63,6.31,;-10.99,5.59,;-10.99,7.03,;-8.86,7.64,;-7.32,7.64,;-1.93,8.98,;-.39,8.98,;-2.7,10.31,;-1.93,11.64,;-4.24,10.31,;1.92,3.02,;.59,3.79,;-.74,3.02,;-.74,1.48,;-2.08,.71,;-3.41,1.48,;-4.87,1.01,;-5.78,2.25,;-4.87,3.5,;-3.41,3.02,;-2.08,3.79,;1.92,1.48,;4.59,-7.76,;5.93,-8.53,;3.26,-8.53,;3.26,-10.07,;1.92,-10.84,;.59,-10.07,;-.74,-10.84,;.59,-8.53,;1.92,-7.76,)|
Structure:
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