Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM189477
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:
BDBM189477
Synonyms:
US9174982, 29 | US9174982, 34
Type:
Small organic molecule
Emp. Form.:
C47H54ClN7O7S
Mol. Mass.:
896.492
SMILES:
COC1CCC(CNc2ccc(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 |t:48,(-11.38,3.51,;-10.61,2.18,;-9.07,2.18,;-8.3,.84,;-6.76,.84,;-5.99,2.18,;-4.45,2.18,;-3.68,3.51,;-2.14,3.51,;-1.37,2.18,;.17,2.18,;.94,3.51,;.17,4.84,;-1.37,4.84,;-2.14,6.18,;-1.37,7.51,;-3.68,6.18,;2.48,3.51,;2.48,5.05,;4.02,3.51,;2.48,1.97,;3.81,1.2,;5.15,1.97,;3.81,-.34,;5.15,-1.11,;5.15,-2.65,;3.81,-3.42,;2.48,-2.65,;2.48,-1.11,;1.15,-.34,;-.19,-1.11,;-.19,-2.65,;-1.52,-3.42,;-2.85,-2.65,;-4.32,-3.12,;-5.22,-1.88,;-4.32,-.63,;-2.85,-1.11,;-1.52,-.34,;3.81,-4.96,;5.15,-5.73,;5.15,-7.27,;3.81,-8.04,;3.81,-9.58,;5.15,-10.35,;5.15,-11.89,;6.48,-12.66,;7.81,-11.89,;8.63,-13.19,;9.35,-11.94,;7.81,-10.35,;6.48,-9.58,;3.81,-12.66,;3.81,-14.2,;2.48,-14.97,;1.15,-14.2,;-.19,-14.97,;1.15,-12.66,;2.48,-11.89,;2.48,-7.27,;2.48,-5.73,;-6.76,3.51,;-8.3,3.51,)|
Structure:
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