Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2/Glutathione S-transferase P
Ligand
BDBM185622
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Temperature
298.15±n/a K
Ki
0.649±n/a nM
Comments
extracted
Citation
 Kunzer, AR; Elmore, SW; Sullivan, GM Apoptosis-inducing agent for the treatment of cancer and immune and autoimmune diseases US Patent  US9493431 Publication Date 11/15/2016 
Target
Name:
Apoptosis regulator Bcl-2/Glutathione S-transferase P
Synonyms:
GST-Bcl-2 Protein
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Glutathione S-transferase P
Synonyms:
FAEES3 | GST class-pi | GST3 | GSTP1 | GSTP1-1 | GSTP1_HUMAN | Glutathione S-transferase | Glutathione S-transferase (GST) | Glutathione S-transferase P | Glutathione S-transferase Pi | Glutathione transferase (GST)
Type:
Enzyme
Mol. Mass.:
23353.53
Organism:
Homo sapiens (Human)
Description:
P09211
Residue:
210
Sequence:
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
  
Inhibitor
Name:
BDBM185622
Synonyms:
US9156856, 33 | US9493431, 33
Type:
Small organic molecule
Emp. Form.:
C45H52ClN7O6S2
Mol. Mass.:
886.521
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cc(c(NCCCN4CCCC4)s3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
Structure:
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