Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM189728
Substrate
n/a
Meas. Tech.
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay
Ki
<0.010±n/a nM
Citation
 Catron, N; Lindley, D; Miller, JM; Schmitt, EA; Tong, P Solid dispersions containing an apoptosis-inducing agent US Patent  US10213433 Publication Date 2/26/2019 
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:
BDBM189728
Synonyms:
US10213433, Compound 298 | US11369599, Compound 298 | US9174982, 298
Type:
Small organic molecule
Emp. Form.:
C45H50Cl2N6O6S
Mol. Mass.:
873.886
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OC[C@H]4CC[C@H](O)CC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |wU:29.29,wD:32.33,c:56,(6.65,-10.99,;5.83,-9.69,;7.37,-9.74,;5.83,-8.15,;4.5,-7.38,;3.17,-8.15,;1.83,-7.38,;1.83,-5.84,;3.17,-5.07,;3.17,-3.53,;1.83,-2.76,;.5,-3.53,;.5,-5.07,;1.83,-1.22,;3.17,-.45,;3.17,1.09,;1.83,1.86,;1.83,3.4,;.5,4.17,;3.17,4.17,;4.5,3.4,;5.27,4.74,;3.73,2.07,;5.83,2.63,;5.83,1.09,;7.17,.32,;8.5,1.09,;9.84,.32,;11.17,1.09,;12.5,.32,;13.84,1.09,;15.17,.32,;15.17,-1.22,;16.5,-1.99,;13.84,-1.99,;12.5,-1.22,;8.5,2.63,;9.84,3.4,;7.17,3.4,;.5,1.09,;-.83,1.86,;-2.17,1.09,;-2.17,-.45,;-3.5,-1.22,;-4.83,-.45,;-6.3,-.92,;-7.2,.32,;-6.3,1.57,;-4.83,1.09,;-3.5,1.86,;.5,-.45,;3.17,-9.69,;4.5,-10.46,;1.83,-10.46,;1.83,-12,;.5,-12.77,;-.83,-12,;-2.17,-12.77,;-.83,-10.46,;.5,-9.69,)|
Structure:
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