Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM189558
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay
Ki
<0.010±n/a nM
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, R; Hansen, TM APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES US Patent  US20240043404 Publication Date 2/8/2024 
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:
BDBM189558
Synonyms:
US10213433, Compound 196 | US11369599, Compound 120 | US20240043404, Example 120 | US9174982, 120
Type:
Small organic molecule
Emp. Form.:
C46H51ClN6O8S
Mol. Mass.:
883.451
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@H]4CC[C@H](O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |wU:29.29,wD:32.33,c:58,(7.36,-9.37,;6.55,-8.07,;8.09,-8.12,;6.55,-6.53,;5.21,-5.76,;3.88,-6.53,;2.55,-5.76,;2.55,-4.22,;3.88,-3.45,;3.88,-1.91,;2.55,-1.14,;1.21,-1.91,;1.21,-3.45,;2.55,.4,;3.88,1.17,;3.88,2.71,;2.55,3.48,;2.55,5.02,;3.88,5.79,;1.21,5.79,;1.21,7.33,;1.21,8.87,;2.75,7.33,;-.33,7.33,;-1.1,6,;-2.64,6,;-3.41,7.33,;-4.95,7.33,;-5.72,6,;-7.26,6,;-8.03,4.67,;-9.57,4.67,;-10.34,6,;-11.88,6,;-9.57,7.33,;-8.03,7.33,;-2.64,8.67,;-1.1,8.67,;-3.41,10,;-2.64,11.34,;-4.95,10,;1.21,2.71,;-.12,3.48,;-1.46,2.71,;-1.46,1.17,;-2.79,.4,;-4.12,1.17,;-5.59,.7,;-6.49,1.94,;-5.59,3.19,;-4.12,2.71,;-2.79,3.48,;1.21,1.17,;3.88,-8.07,;5.21,-8.84,;2.55,-8.84,;2.55,-10.38,;1.21,-11.15,;-.12,-10.38,;-1.46,-11.15,;-.12,-8.84,;1.21,-8.07,)|
Structure:
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