Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM567661
Substrate
n/a
Meas. Tech.
Bcl-2/Bcl-X Fluorescence Polarization Assay
IC50
0.022±n/a nM
Citation
 Guo, Y; Xue, H; Wang, Z; Sun, H Bcl-2 inhibitors US Patent  US11420968 Publication Date 8/23/2022 
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:
BDBM567661
Synonyms:
US11420968, Example F21
Type:
Small organic molecule
Emp. Form.:
C49H57N7O7S
Mol. Mass.:
888.085
SMILES:
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)CC2)CC1 |r,wU:1.1,wD:5.5,50.56,1.0,(16.29,-2.47,;14.96,-1.7,;15.73,-.37,;14.19,-3.03,;12.65,-3.03,;11.88,-1.7,;10.34,-1.7,;9.57,-.37,;8.03,-.37,;7.26,-1.7,;5.72,-1.7,;4.95,-.37,;5.72,.97,;7.29,1.02,;8.05,2.35,;9.59,2.35,;7.28,3.68,;3.41,-.37,;3.41,1.17,;3.41,-1.91,;1.87,-.37,;1.1,-1.7,;1.87,-3.03,;-.44,-1.7,;-1.21,-3.03,;-2.75,-3.03,;-3.52,-1.7,;-2.75,-.37,;-1.21,-.37,;-.44,.97,;-1.21,2.3,;-2.75,2.3,;-3.52,3.64,;-2.75,4.97,;-3.23,6.43,;-1.98,7.34,;-.74,6.43,;-1.21,4.97,;-.44,3.64,;-5.06,-1.7,;-5.83,-3.03,;-7.37,-3.03,;-8.14,-1.7,;-9.23,-.61,;-10.32,-1.7,;-9.23,-2.79,;-11.86,-1.7,;-12.77,-.45,;-14.23,-.93,;-14.23,-2.47,;-12.77,-2.95,;-12.29,-4.41,;-10.78,-4.73,;-10.31,-6.19,;-11.34,-7.34,;-12.84,-7.02,;-13.32,-5.55,;-14.83,-5.23,;-15.97,-4.2,;-16.29,-5.71,;-7.37,-.37,;-5.83,-.37,;12.65,-.37,;14.19,-.37,)|
Structure:
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