Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM567664
Substrate
n/a
Meas. Tech.
Bcl-2/Bcl-X TR-FRET Assay
IC50
0.034±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:
BDBM567664
Synonyms:
US11420968, Example F26
Type:
Small organic molecule
Emp. Form.:
C48H57N7O7S
Mol. Mass.:
876.074
SMILES:
CCc1ccccc1[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:38.41,41.45,wD:8.8,41.46,(-16.08,-3.62,;-15.05,-2.48,;-13.55,-2.8,;-13.07,-4.26,;-11.56,-4.58,;-10.53,-3.44,;-11.01,-1.97,;-12.52,-1.65,;-12.99,-.19,;-14.46,.29,;-14.46,1.83,;-12.99,2.3,;-12.09,1.06,;-10.55,1.06,;-9.46,-.03,;-8.37,1.06,;-9.46,2.15,;-7.6,2.39,;-6.06,2.39,;-5.29,1.06,;-6.06,-.27,;-7.6,-.27,;-3.75,1.06,;-2.98,2.39,;-1.44,2.39,;-.67,1.06,;.87,1.06,;1.64,2.39,;1.64,-.27,;3.18,-.27,;3.18,1.27,;3.18,-1.81,;4.72,-.27,;5.49,1.06,;7.03,1.06,;7.8,-.27,;9.34,-.27,;10.11,1.06,;11.65,1.06,;12.42,2.39,;13.96,2.39,;14.73,1.06,;16.09,.34,;16.09,1.78,;13.96,-.27,;12.42,-.27,;7.03,-1.61,;5.49,-1.61,;7.8,-2.94,;7.03,-4.28,;9.34,-2.94,;-1.44,-.27,;-.67,-1.61,;-1.44,-2.94,;-2.98,-2.94,;-3.75,-4.28,;-2.98,-5.61,;-3.45,-7.07,;-2.21,-7.98,;-.96,-7.07,;-1.44,-5.61,;-.67,-4.28,;-2.98,-.27,)|
Structure:
Search PDB for entries with ligand similarity: