Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM189559
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Temperature
298.15±n/a K
Ki
<0.01±n/a nM
Comments
extracted
Citation
 Bruncko, M; Ding, H; Doherty, GA; Elmore, SW; Hasvold, LA; Hexamer, L; Kunzer, AR; Song, X; Souers, AJ; Sullivan, GM; Tao, Z; Wang, GT; Wang, L; Wang, X; Wendt, MD; Mantei, RA; Hansen, TM Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases US Patent  US9174982 Publication Date 11/3/2015 
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:
BDBM189559
Synonyms:
US10213433, Compound 121 | US11369599, Compound 121 | US9174982, 121
Type:
Small organic molecule
Emp. Form.:
C47H53ClN6O8S
Mol. Mass.:
897.477
SMILES:
CO[C@@H]1CC[C@H](COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |wU:2.1,5.5,t:48,(-12.33,7.22,;-11.56,5.88,;-10.02,5.88,;-9.25,4.55,;-7.71,4.55,;-6.94,5.88,;-5.4,5.88,;-4.63,7.22,;-3.09,7.22,;-2.32,5.88,;-.78,5.88,;-.01,7.22,;-.78,8.55,;-2.32,8.55,;-3.09,9.88,;-2.32,11.22,;-4.63,9.88,;1.53,7.22,;1.53,8.76,;3.07,7.22,;1.53,5.68,;2.86,4.91,;4.19,5.68,;2.86,3.37,;4.19,2.6,;4.19,1.06,;2.86,.29,;1.53,1.06,;1.53,2.6,;.19,3.37,;-1.14,2.6,;-1.14,1.06,;-2.48,.29,;-3.81,1.06,;-5.27,.58,;-6.18,1.83,;-5.27,3.07,;-3.81,2.6,;-2.48,3.37,;2.86,-1.25,;4.19,-2.02,;4.19,-3.56,;2.86,-4.33,;2.86,-5.87,;4.19,-6.64,;4.19,-8.18,;5.53,-8.95,;6.86,-8.18,;7.68,-9.49,;8.4,-8.24,;6.86,-6.64,;5.53,-5.87,;2.86,-8.95,;2.86,-10.49,;1.53,-11.26,;.19,-10.49,;-1.14,-11.26,;.19,-8.95,;1.53,-8.18,;1.53,-3.56,;1.53,-2.02,;-7.71,7.22,;-9.25,7.22,)|
Structure:
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