Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM356627
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:
BDBM356627
Synonyms:
US10213433, Compound 9 | US11369599, Compound 9 | US20240043404, Example 9 | trans-4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({4-[(4-morpholin-4-ylcyclohexyl)amino]-3-nitrophenyl}sulfonyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Type:
Small organic molecule
Emp. Form.:
C49H57ClN8O7S
Mol. Mass.:
937.544
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H]4CC[C@@H](CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |wU:28.28,wD:31.35,c:63,(3.59,13.27,;2.82,11.93,;4.36,11.93,;2.82,10.39,;1.48,9.63,;.15,10.39,;-1.18,9.63,;-1.18,8.08,;-2.52,7.32,;-2.52,5.78,;-1.18,5,;.15,5.78,;.15,7.32,;-1.18,3.46,;-2.52,2.7,;-2.52,1.16,;-1.18,.38,;-1.18,-1.16,;-2.52,-1.93,;.15,-1.93,;.15,-3.46,;-1.39,-3.46,;1.69,-3.46,;.15,-5,;-1.18,-5.78,;-1.18,-7.32,;.15,-8.08,;.15,-9.63,;-1.18,-10.39,;-1.18,-11.93,;-2.52,-12.71,;-3.85,-11.93,;-3.85,-10.39,;-2.52,-9.63,;-5.19,-12.71,;-5.19,-14.24,;-6.52,-15.01,;-7.85,-14.24,;-7.85,-12.71,;-6.52,-11.93,;1.48,-7.32,;1.48,-5.78,;2.82,-8.08,;4.15,-7.32,;2.82,-9.63,;.15,1.16,;1.48,.38,;2.82,1.16,;2.82,2.7,;4.15,3.46,;5.48,2.7,;6.95,3.17,;7.85,1.93,;6.95,.68,;5.48,1.16,;4.15,.38,;.15,2.7,;.15,11.93,;1.48,12.71,;-1.18,12.71,;-2.52,11.93,;-3.85,12.71,;-3.85,14.24,;-5.19,15.01,;-2.52,15.01,;-1.18,14.24,)|
Structure:
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