Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM237172
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
 Tao, Z; Wang, X; Souers, AJ; Catron, ND; Sullivan, GM Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases US Patent  US9403822 Publication Date 8/2/2016 
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:
BDBM237172
Synonyms:
US9403822, 5
Type:
Small organic molecule
Emp. Form.:
C46H52ClN6O11PS
Mol. Mass.:
963.43
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@H]4CC[C@@H](CC4)OP(O)(O)=O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |r,wU:29.29,wD:32.36,c:62,(12.68,14.16,;11.87,12.85,;13.41,12.91,;11.87,11.31,;10.53,10.54,;9.2,11.31,;7.87,10.54,;7.87,9,;6.53,8.23,;6.53,6.69,;7.87,5.92,;9.2,6.69,;9.2,8.23,;7.87,4.38,;9.2,3.61,;9.2,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;9.2,-1.01,;9.2,-2.55,;10.74,-2.55,;7.66,-2.55,;9.2,-4.09,;10.53,-4.86,;10.53,-6.4,;9.2,-7.17,;9.2,-8.71,;10.53,-9.48,;10.53,-11.02,;11.87,-11.79,;11.87,-13.33,;10.53,-14.1,;9.2,-13.33,;9.2,-11.79,;10.53,-15.64,;11.87,-16.41,;12.64,-15.07,;11.1,-17.74,;13.2,-17.18,;7.87,-6.4,;7.87,-4.86,;6.53,-7.17,;6.53,-8.71,;5.2,-6.4,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;6.53,3.61,;9.2,12.85,;10.53,13.62,;7.87,13.62,;6.53,12.85,;5.2,13.62,;5.2,15.16,;3.86,15.93,;6.53,15.93,;7.87,15.16,)|
Structure:
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