Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetApoptosis regulator Bcl-2
LigandBDBM178792
Substrate/Competitorn/a
Meas. Tech.Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Ki 0.18±n/a nM
Citation Bruncko, MDing, HDoherty, GAElmore, SWHasvold, LHexamer, LAKunzer, ARMantei, RAMcClellan, WJPark, CHPark, CPetros, AMSong, XSouers, AJSullivan, GMTao, ZWang, GTWang, LWang, XWendt, MD Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases US Patent US9125913 Publication Date 9/8/2015
More Info.:Get all data from this article,  Assay Method
 
Apoptosis regulator Bcl-2
Name:Apoptosis regulator Bcl-2
Synonyms:n/a
Type:Protein
Mol. Mass.:26409.44
Organism:Mus musculus (Mouse)
Description:P10417
Residue:236
Sequence:
MAQAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDADAAPLGAAPTPGIFSFQPESNPMPA
VHRDMAARTSPLRPLVATAGPALSPVPPVVHLTLRRAGDDFSRRYRRDFAEMSSQLHLTP
FTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNR
HLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM178792
NameBDBM178792
Synonyms:US9125913, 363
TypeSmall organic molecule
Emp. Form.C50H58ClN7O7S
Mol. Mass.936.556
SMILESCC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:63,(15.08,-12.62,;14.26,-11.31,;15.8,-11.37,;14.26,-9.77,;12.93,-9,;11.59,-9.77,;10.26,-9,;10.26,-7.46,;11.59,-6.69,;11.59,-5.15,;10.26,-4.38,;8.92,-5.15,;8.92,-6.69,;10.26,-2.84,;11.59,-2.07,;11.59,-.53,;10.26,.24,;10.26,1.78,;8.92,2.55,;11.59,2.55,;11.59,4.09,;13.13,4.09,;10.05,4.09,;11.59,5.63,;10.26,6.4,;10.26,7.94,;11.59,8.71,;11.59,10.25,;10.26,11.02,;8.92,10.25,;7.59,11.02,;7.59,12.56,;8.92,13.33,;10.26,12.56,;6.26,13.33,;4.92,12.56,;3.59,13.33,;3.59,14.87,;4.92,15.64,;6.26,14.87,;12.93,7.94,;12.93,6.4,;14.26,8.71,;15.59,7.94,;14.26,10.25,;8.92,-.53,;7.59,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;8.92,-2.07,;11.59,-11.31,;12.93,-12.08,;10.26,-12.08,;10.26,-13.62,;8.92,-14.39,;7.59,-13.62,;6.26,-14.39,;7.59,-12.08,;8.92,-11.31,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a