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Target
Bcl2-associated agonist of cell death
Ligand
BDBM555314
Substrate
n/a
Meas. Tech.
Binding Assay
Kd
>100±n/a nM
Citation
 Pinchman, JR; Huang, PQ; Bunker, KD; Sit, RK; Samatar, AA Benzamide compounds US Patent  US11344546 Publication Date 5/31/2022 
Target
Name:
Bcl2-associated agonist of cell death
Synonyms:
BAD | BAD_HUMAN | BBC6 | BCL2L8 | Bcl-2-binding component 6 | Bcl-2-like protein 8 | Bcl-XL/Bcl-2-associated death promoter | Bcl2 antagonist of cell death | Bcl2-L-8 | Bcl2-antagonist of cell death (BAD)
Type:
PROTEIN
Mol. Mass.:
18393.69
Organism:
Homo sapiens (Human)
Description:
ChEMBL_478760
Residue:
168
Sequence:
MFQIPEFEPSEQEDSSSAERGLGPSPAGDGPSGSGKHHRQAPGLLWDASHQQEQPTSSSHHGGAGAVEIRSRHSSYPAGTEDDEGMGEEPSPFRGRSRSAPPNLWAAQRYGRELRRMSDEFVDSFKKGLPRPKSAGTATQMRQSSSWTRVFQSWWDRNLGRGSSAPSQ
  
Inhibitor
Name:
BDBM555314
Synonyms:
2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3-ethylbicyclo[1.1.1]pentan-1-yl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((4-((((1r,4r)-4-hydroxy-4-methylcyclohexyl)methyl)amino)-3-nitrophenyl)sulfonyl)benzamide | US11344546, Example 27
Type:
Small organic molecule
Emp. Form.:
C49H62N6O7S
Mol. Mass.:
879.118
SMILES:
CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)CS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |r,wU:32.34,35.38,wD:35.39,$;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,c:9,(-5.5,-12.53,;-4.17,-13.3,;-2.83,-12.53,;-2.43,-11.04,;-.95,-11.44,;-1.34,-12.93,;-1.58,-12.53,;.39,-10.67,;.39,-9.13,;-.95,-8.36,;-.95,-6.82,;-2.28,-6.05,;-2.28,-4.51,;-.95,-3.74,;.39,-4.51,;.39,-6.05,;-.95,-2.2,;.39,-1.43,;.39,.11,;-.95,.88,;-.95,2.42,;-2.28,3.19,;.39,3.19,;1.72,2.42,;3.05,1.65,;.95,1.09,;2.49,3.76,;4.03,3.76,;4.8,5.09,;4.03,6.42,;4.8,7.76,;6.34,7.76,;7.11,9.09,;6.34,10.42,;7.11,11.76,;8.65,11.76,;9.98,12.53,;8.65,13.3,;9.42,10.42,;8.65,9.09,;2.49,6.42,;1.72,5.09,;1.72,7.76,;.18,7.76,;2.49,9.09,;-2.28,.11,;-3.61,.88,;-4.95,.11,;-4.95,-1.43,;-6.28,-2.2,;-7.61,-1.43,;-9.08,-1.9,;-9.98,-.66,;-9.08,.59,;-7.61,.11,;-6.28,.88,;-2.28,-1.43,;1.72,-8.36,;3.05,-9.13,;3.05,-10.67,;4.59,-10.67,;3.82,-12,;1.72,-11.44,)|
Structure:
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