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TargetApoptosis regulator Bcl-2
LigandBDBM50078160
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1472597
Ki>660±n/a nM
Citation Bruncko MWang LSheppard GSPhillips DCTahir SKXue JErickson SFidanze SFry EHasvold LJenkins GJJin SJudge RAKovar PJMadar DNimmer PPark CPetros AMRosenberg SHSmith MLSong XSun CTao ZFWang XXiao YZhang HTse CLeverson JDElmore SWSouers AJ Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. J Med Chem 58:2180-94 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Apoptosis regulator Bcl-2
Name:Apoptosis regulator Bcl-2
Synonyms:Apoptosis regulator Bcl-2 Protein | B-cell lymphoma 2 protein (Bcl-2) | BCL-2 | Bcl-2 Protein
Type:Homodimer or heterodimer
Mol. Mass.:26269.11
Organism:Homo sapiens (Human)
Description:P10415
Residue:239
Sequence:
MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPA
ASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLH
LTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEY
LNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50078160
n/a
NameBDBM50078160
Synonyms:CHEMBL3417701
TypeSmall organic molecule
Emp. Form.C45H52N6O7S
Mol. Mass.820.995
SMILESCc1nn(C)c(COc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-2.81,-12.36,;-3.79,-13.11,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-6.15,-13.92,;-7.69,-13.93,;-8.44,-15.28,;-9.98,-15.29,;-10.74,-16.63,;-12.28,-16.64,;-13.06,-15.32,;-12.3,-13.98,;-10.76,-13.96,;-14.6,-15.33,;-15.37,-16.67,;-16.91,-16.68,;-17.68,-15.35,;-16.92,-14.01,;-15.38,-14,;-19.23,-15.36,;-19.85,-14.3,;-19.83,-16.43,;-20.46,-15.37,;-5.26,-12.68,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,)|
Structure
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