Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM567801
Substrate
n/a
Meas. Tech.
Bcl-2/Bcl-X TR-FRET Assay
IC50
0.020±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:
BDBM567801
Synonyms:
US11420968, Example F64
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,(-16.16,-6.18,;-15.07,-5.09,;-15.47,-3.6,;-13.59,-5.49,;-13.19,-6.97,;-11.7,-7.37,;-10.61,-6.28,;-11.01,-4.8,;-12.5,-4.4,;-12.89,-2.91,;-14.36,-2.43,;-14.36,-.89,;-12.89,-.42,;-11.99,-1.66,;-10.45,-1.66,;-9.36,-2.75,;-8.27,-1.66,;-9.36,-.58,;-7.5,-3,;-5.96,-3,;-5.19,-1.66,;-5.96,-.33,;-7.5,-.33,;-3.65,-1.66,;-2.88,-3,;-1.34,-3,;-.57,-1.66,;.97,-1.66,;1.74,-.33,;1.74,-3,;3.28,-3,;3.28,-1.46,;3.28,-4.54,;4.82,-3,;5.59,-4.33,;7.13,-4.33,;7.9,-3,;9.44,-3,;10.21,-4.33,;11.75,-4.33,;12.52,-5.67,;14.06,-5.67,;14.83,-4.33,;16.16,-5.1,;16.16,-3.56,;14.06,-3,;12.52,-3,;7.15,-1.57,;5.59,-1.66,;7.9,-.23,;7.12,1.1,;9.44,-.21,;-1.34,-.33,;-.57,1,;-1.34,2.34,;-2.88,2.34,;-3.65,3.67,;-2.88,5,;-3.36,6.47,;-2.11,7.37,;-.87,6.47,;-1.34,5,;-.57,3.67,;-2.88,-.33,)|
Structure:
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