Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM567749
Substrate
n/a
Meas. Tech.
Bcl-2/Bcl-X TR-FRET Assay
IC50
0.030±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:
BDBM567749
Synonyms:
US11420968, Example F111
Type:
Small organic molecule
Emp. Form.:
C46H53N7O7S
Mol. Mass.:
848.021
SMILES:
CCc1ccccc1[C@@H]1CCCN1C1CC2(C1)CN(C2)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:39.44,wD:8.8,36.39,39.43,(-15.53,-6.32,;-14.44,-5.23,;-12.93,-5.55,;-12.46,-7.02,;-10.95,-7.34,;-9.92,-6.19,;-10.4,-4.73,;-11.9,-4.41,;-12.38,-2.95,;-13.84,-2.47,;-13.84,-.93,;-12.38,-.45,;-11.47,-1.7,;-9.93,-1.7,;-8.85,-2.79,;-7.76,-1.7,;-8.85,-.61,;-6.67,-2.79,;-5.58,-1.7,;-6.67,-.61,;-4.04,-1.7,;-3.27,-3.03,;-1.73,-3.03,;-.96,-1.7,;.58,-1.7,;1.35,-3.03,;1.35,-.37,;2.89,-.37,;2.89,1.17,;2.89,-1.91,;4.43,-.37,;5.2,-1.7,;6.74,-1.7,;7.51,-.37,;9.05,-.37,;9.82,-1.7,;11.36,-1.7,;12.13,-3.03,;13.67,-3.03,;14.44,-1.7,;15.53,-2.79,;15.53,-.61,;13.67,-.37,;12.13,-.37,;6.81,1.09,;5.2,.97,;7.58,2.43,;9.12,2.43,;6.81,3.76,;-1.73,-.37,;-.96,.97,;-1.73,2.3,;-3.27,2.3,;-4.04,3.64,;-3.27,4.97,;-3.74,6.43,;-2.5,7.34,;-1.25,6.43,;-1.73,4.97,;-.96,3.64,;-3.27,-.37,)|
Structure:
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