Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM189786
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:
BDBM189786
Synonyms:
US11369599, Compound 359 | US9174982, 358
Type:
Small organic molecule
Emp. Form.:
C48H56ClN7O7S
Mol. Mass.:
910.519
SMILES:
CCC1(O)CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:49,(-12.08,6.12,;-10.77,6.93,;-9.41,6.21,;-10.77,5.49,;-8.64,4.88,;-7.1,4.88,;-6.33,6.21,;-4.79,6.21,;-4.02,7.55,;-2.48,7.55,;-1.71,6.21,;-.17,6.21,;.6,7.55,;-.17,8.88,;-1.71,8.88,;-2.48,10.21,;-1.71,11.55,;-4.02,10.21,;2.14,7.55,;2.14,9.09,;3.68,7.55,;2.14,6.01,;3.47,5.24,;4.81,6.01,;3.47,3.7,;4.81,2.93,;4.81,1.39,;3.47,.62,;2.14,1.39,;2.14,2.93,;.81,3.7,;-.53,2.93,;-.53,1.39,;-1.86,.62,;-3.19,1.39,;-4.66,.91,;-5.56,2.16,;-4.66,3.4,;-3.19,2.93,;-1.86,3.7,;3.47,-.92,;4.81,-1.69,;4.81,-3.23,;3.47,-4,;3.47,-5.54,;4.81,-6.31,;4.81,-7.85,;6.14,-8.62,;7.48,-7.85,;8.29,-9.16,;9.01,-7.91,;7.48,-6.31,;6.14,-5.54,;3.47,-8.62,;3.47,-10.16,;2.14,-10.93,;.81,-10.16,;-.53,-10.93,;.81,-8.62,;2.14,-7.85,;2.14,-3.23,;2.14,-1.69,;-7.1,7.55,;-8.64,7.55,)|
Structure:
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