Target
Apoptosis regulator Bcl-2
Ligand
BDBM145133
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Temperature
298.15±n/a K
Ki
<0.010±n/a nM
Comments
extracted
Citation
 Bruncko, MDing, HDoherty, GAElmore, SWHasvold, LHexamer, LKunzer, ARMantei, RAPark, CSong, XSouers, AJSullivan, GMTao, ZWang, GTWang, LWang, XWendt, MD Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases US Patent  US9303025 Publication Date 4/5/2016 
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:
BDBM145133
Synonyms:
US8952157, 324 | US9303025, 324
Type:
Small organic molecule
Emp. Form.:
C47H56Cl2N8O7S
Mol. Mass.:
947.968
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61,(10.75,-11.18,;9.94,-9.88,;11.48,-9.93,;9.94,-8.34,;8.6,-7.57,;7.27,-8.34,;5.94,-7.57,;5.94,-6.03,;7.27,-5.26,;7.27,-3.72,;5.94,-2.95,;4.6,-3.72,;4.6,-5.26,;5.94,-1.41,;7.27,-.64,;7.27,.9,;5.94,1.67,;5.94,3.21,;7.27,3.98,;4.6,3.98,;4.6,5.52,;4.6,7.06,;6.14,5.52,;3.06,5.52,;2.29,4.19,;.75,4.19,;-.02,5.52,;-1.56,5.52,;-2.33,4.19,;-1.56,2.85,;-2.33,1.52,;-3.87,1.52,;-4.64,2.85,;-3.87,4.19,;-4.64,.19,;-3.87,-1.15,;-4.64,-2.48,;-6.18,-2.48,;-6.95,-1.15,;-6.18,.19,;.75,6.86,;2.29,6.86,;-.02,8.19,;.75,9.52,;-1.56,8.19,;4.6,.9,;3.27,1.67,;1.94,.9,;.6,1.67,;-.73,.9,;-.73,-.64,;-2.06,-1.41,;.6,-1.41,;.6,-2.95,;1.94,-.64,;4.6,-.64,;7.27,-9.88,;8.6,-10.65,;5.94,-10.65,;5.94,-12.19,;4.6,-12.96,;3.27,-12.19,;1.94,-12.96,;3.27,-10.65,;4.6,-9.88,)|
Structure:
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