Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM50244117
Substrate
n/a
Meas. Tech.
Fluorescence Polarization Anisotropy Competition Assay
Ki
2340±n/a nM
Citation
 Lee, T; Bian, Z; Belmar, J; Christov, PP; Pelz, NF; Shaw, S; Kim, K; Tarr, JC; Olejniczak, ET; Zhao, B; Fesik, SW Substituted indole Mcl-1 inhibitors US Patent  US10533010 Publication Date 1/14/2020 
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:
BDBM50244117
Synonyms:
CHEMBL4094779 | US10533010, Example I-80 | US11208415, Example I-80
Type:
Small organic molecule
Emp. Form.:
C37H38Cl2N4O4
Mol. Mass.:
673.628
SMILES:
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(29.45,-25.81,;27.99,-25.34,;27.5,-23.88,;25.96,-23.88,;25.06,-22.64,;25.49,-25.35,;24.03,-25.83,;26.74,-26.25,;26.75,-27.8,;25.42,-28.57,;24.09,-27.8,;25.42,-30.11,;26.75,-30.88,;28.09,-30.11,;29.56,-30.59,;30.04,-32.05,;31.54,-32.37,;32.02,-33.84,;33.53,-34.16,;34,-35.62,;35.5,-35.94,;35.98,-37.39,;37.49,-37.71,;34.95,-38.55,;35.43,-40.01,;33.44,-38.23,;32.41,-39.37,;32.97,-36.76,;30.47,-29.33,;32.03,-29.4,;32.64,-30.81,;33.05,-28.22,;34.54,-28.62,;35.63,-27.53,;35.23,-26.05,;36.31,-24.96,;37.81,-25.36,;38.2,-26.85,;37.11,-27.94,;39.69,-27.25,;40.78,-26.17,;40.09,-28.74,;32.76,-26.69,;31.39,-25.95,;29.97,-26.58,;29.56,-28.08,;28.09,-28.56,)|
Structure:
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