Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM145184
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Temperature
298.15±n/a K
Ki
327.81±n/a nM
Comments
extracted
Citation
 Ding, H; Doherty, GA; Elmore, SW; Hexamer, L; Kunzer, AR; Park, C; Song, X; Souers, AJ; Sullivan, GM; Tao, Z; Wang, L; Wendt, MD; Czabotar, PE; Lessene, GL; Colman, PM Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases US Patent  US8952157 Publication Date 2/10/2015 
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:
BDBM145184
Synonyms:
US8952157, 375 | US9303025, 375
Type:
Small organic molecule
Emp. Form.:
C47H56ClF2N7O7S
Mol. Mass.:
936.505
SMILES:
COC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc(NCC(F)F)nc2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:49,(10.41,3.99,;9.64,5.32,;8.1,5.32,;7.33,6.65,;5.79,6.65,;5.02,5.32,;3.48,5.32,;2.71,3.99,;1.17,3.99,;.4,5.32,;-1.14,5.32,;-1.91,3.99,;-1.14,2.65,;.4,2.65,;1.17,1.32,;2.71,1.32,;1.8,-.09,;-3.45,3.99,;-3.45,5.53,;-4.99,3.99,;-3.45,2.45,;-2.11,1.68,;-.61,2,;-2.11,.14,;-3.45,-.63,;-3.45,-2.17,;-2.11,-2.94,;-.78,-2.17,;-.78,-.63,;.55,.14,;1.89,-.63,;3.22,.14,;4.56,-.63,;4.56,-2.17,;5.89,-2.94,;7.22,-2.17,;8.56,-2.94,;9.89,-2.17,;8.56,-4.48,;3.22,-2.94,;1.89,-2.17,;-2.11,-4.48,;-.78,-5.25,;-.78,-6.79,;-2.11,-7.56,;-2.11,-9.1,;-3.45,-9.87,;-3.45,-11.41,;-4.78,-12.18,;-6.11,-11.41,;-6.93,-12.72,;-7.65,-11.47,;-6.11,-9.87,;-4.78,-9.1,;-2.11,-12.18,;-.78,-11.41,;.55,-12.18,;.55,-13.72,;1.89,-14.49,;-.78,-14.49,;-2.11,-13.72,;-3.45,-6.79,;-3.45,-5.25,;5.79,3.99,;7.33,3.99,)|
Structure:
Search PDB for entries with ligand similarity: