Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM567744
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:
BDBM567744
Synonyms:
US11420968, Example F106
Type:
Small organic molecule
Emp. Form.:
C47H53N7O7S
Mol. Mass.:
860.031
SMILES:
C[C@]1(O)CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CC3(CC(C3)N3CCC[C@H]3c3ccccc3C3CC3)C2)CC1 |r,wU:1.1,wD:49.55,5.5,1.0,(15.84,-2.47,;14.51,-1.7,;15.6,-.61,;13.74,-3.03,;12.2,-3.03,;11.43,-1.7,;9.89,-1.7,;9.12,-.37,;7.58,-.37,;6.81,-1.7,;5.27,-1.7,;4.5,-.37,;5.27,.97,;6.88,1.09,;7.65,2.43,;9.19,2.43,;6.88,3.76,;2.96,-.37,;2.96,1.17,;2.96,-1.91,;1.42,-.37,;.65,-1.7,;1.42,-3.03,;-.89,-1.7,;-1.66,-3.03,;-3.2,-3.03,;-3.97,-1.7,;-3.2,-.37,;-1.66,-.37,;-.89,.97,;-1.66,2.3,;-3.2,2.3,;-3.97,3.64,;-3.2,4.97,;-3.68,6.43,;-2.43,7.34,;-1.19,6.43,;-1.66,4.97,;-.89,3.64,;-5.51,-1.7,;-6.6,-2.79,;-7.69,-1.7,;-8.78,-2.79,;-9.87,-1.7,;-8.78,-.61,;-11.41,-1.7,;-12.31,-.45,;-13.78,-.93,;-13.78,-2.47,;-12.31,-2.95,;-11.84,-4.41,;-10.33,-4.73,;-9.86,-6.19,;-10.89,-7.34,;-12.39,-7.02,;-12.87,-5.55,;-14.38,-5.23,;-15.52,-4.2,;-15.84,-5.71,;-6.6,-.61,;12.2,-.37,;13.74,-.37,)|
Structure:
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