Reaction Details  Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM145195
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Temperature
298.15±n/a K
Ki
<0.01±n/a nM
Comments
extracted
Citation
 Ding, H; Doherty, GA; Elmore, SW; Hexamer, L; Kunzer, AR; Park, C; Song, X; Souers, AJ; Sullivan, GM; Tao, Z; Wang, L; Wendt, MD; Czabotar, PE; Lessene, GL; Colman, PM Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases US Patent  US8952157 Publication Date 2/10/2015
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:
BDBM145195
Synonyms:
US8952157, 386
Type:
Small organic molecule
Emp. Form.:
C44H51Cl2N7O7S
Mol. Mass.:
892.889
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56,(3.48,-5.93,;2.67,-4.62,;4.21,-4.67,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-1.33,3.85,;,4.62,;,6.16,;-1.33,6.93,;-1.33,8.47,;,9.24,;-2.67,9.24,;-2.67,10.78,;-2.67,12.32,;-1.13,10.78,;-4.21,10.78,;-4.98,9.45,;-6.52,9.45,;-7.29,10.78,;-8.83,10.78,;-9.6,9.45,;-11.14,9.45,;-11.91,8.11,;-13.45,8.11,;-14.22,9.45,;-15.76,9.45,;-13.45,10.78,;-11.91,10.78,;-6.52,12.11,;-4.98,12.11,;-7.29,13.45,;-6.52,14.78,;-8.83,13.45,;-2.67,6.16,;-4,6.93,;-5.33,6.16,;-6.67,6.93,;-8,6.16,;-8,4.62,;-9.34,3.85,;-6.67,3.85,;-6.67,2.31,;-5.33,4.62,;-2.67,4.62,;,-4.62,;1.33,-5.39,;-1.33,-5.39,;-1.33,-6.93,;-2.67,-7.7,;-4,-6.93,;-5.33,-7.7,;-4,-5.39,;-2.67,-4.62,)|
Structure:
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