Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM232443
Substrate
n/a
Meas. Tech.
Fluorescence Polarization Assay (FPA)
Temperature
298.15±n/a K
IC50
20±n/a nM
Comments
extracted
Citation
 Borzilleri, RM; Cai, Z; Tebben, AJ; Perez, HL; Zhang, L; Schroeder, GM; Wei, DD Substituted sulfonamides useful as antiapoptotic Bcl inhibitors US Patent  US9346795 Publication Date 5/24/2016 
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:
BDBM232443
Synonyms:
US9346795, 251
Type:
Small organic molecule
Emp. Form.:
C49H41BrCl2N4O7S
Mol. Mass.:
980.747
SMILES:
CCCCc1c(c(nn1-c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1 |(18.31,-1.57,;16.85,-2.05,;16.53,-3.55,;15.06,-4.03,;14.74,-5.53,;13.34,-6.16,;13.5,-7.69,;15,-8.01,;15.77,-6.68,;17.31,-6.52,;17.93,-5.11,;19.46,-4.95,;20.37,-6.2,;21.9,-6.03,;22.81,-7.28,;22.18,-8.69,;23.08,-9.93,;24.62,-9.77,;25.24,-8.36,;26.77,-8.2,;24.34,-7.12,;19.74,-7.6,;18.21,-7.76,;12.35,-8.72,;12.67,-10.23,;10.89,-8.25,;9.74,-9.28,;8.28,-8.8,;12,-5.39,;10.67,-6.16,;9.34,-5.39,;9.34,-3.85,;10.67,-3.08,;12,-3.85,;13.34,-3.08,;14.84,-3.4,;13.34,-1.54,;12,-.77,;12,.77,;13.34,1.54,;13.34,3.08,;14.67,3.85,;16,3.08,;16,1.54,;14.67,.77,;14.67,-.77,;8,-3.08,;8,-1.54,;6.67,-3.85,;5.33,-3.08,;6.1,-1.75,;4.56,-4.41,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,-.77,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-2.31,;2.67,-3.08,)|
Structure:
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