Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM567697
Substrate
n/a
Meas. Tech.
Bcl-2/Bcl-X TR-FRET Assay
IC50
0.021±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:
BDBM567697
Synonyms:
US11420968, Example F63
Type:
Small organic molecule
Emp. Form.:
C48H58N8O7S
Mol. Mass.:
891.089
SMILES:
CN(C)c1ccccc1[C@@H]1CCCN1C1CC2(C1)CCN(CC2)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@H]3CC[C@](C)(O)CC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1 |r,wU:42.47,wD:9.9,39.42,42.46,(-16.24,-6.18,;-15.15,-5.09,;-15.55,-3.6,;-13.66,-5.49,;-13.26,-6.97,;-11.78,-7.37,;-10.69,-6.28,;-11.09,-4.8,;-12.57,-4.4,;-12.97,-2.91,;-14.44,-2.43,;-14.44,-.89,;-12.97,-.42,;-12.07,-1.66,;-10.53,-1.66,;-9.44,-2.75,;-8.35,-1.66,;-9.44,-.58,;-7.58,-3,;-6.04,-3,;-5.27,-1.66,;-6.04,-.33,;-7.58,-.33,;-3.73,-1.66,;-2.96,-3,;-1.42,-3,;-.65,-1.66,;.89,-1.66,;1.66,-.33,;1.66,-3,;3.2,-3,;3.2,-1.46,;3.2,-4.54,;4.74,-3,;5.51,-4.33,;7.05,-4.33,;7.82,-3,;9.36,-3,;10.13,-4.33,;11.67,-4.33,;12.44,-5.67,;13.98,-5.67,;14.75,-4.33,;16.08,-5.1,;16.24,-3.93,;13.98,-3,;12.44,-3,;7.07,-1.57,;5.51,-1.66,;7.82,-.23,;7.04,1.1,;9.36,-.21,;-1.42,-.33,;-.65,1,;-1.42,2.34,;-2.96,2.34,;-3.73,3.67,;-2.96,5,;-3.43,6.47,;-2.19,7.37,;-.94,6.47,;-1.42,5,;-.65,3.67,;-2.96,-.33,)|
Structure:
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