Reaction Details
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Bcl2-associated agonist of cell death
Ligand
BDBM555318
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 More Info.:
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:
BDBM555318
Synonyms:
2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-dimethyl-2-(3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl)cyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((4-((((1r,4r)-4-hydroxy-4-methylcyclohexyl)methyl)amino)-3-nitrophenyl)sulfonyl)benzamide | US11344546, Example 32
Type:
Small organic molecule
Emp. Form.:
C47H56F3N7O7S
Mol. Mass.:
920.05
SMILES:
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |r,wU:29.29,32.33,wD:32.34,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;C;;;$,c:59,(4.54,-10.76,;3,-10.76,;3.77,-12.09,;3,-9.22,;1.67,-8.45,;.34,-9.22,;-1,-8.45,;-1,-6.91,;-2.33,-6.14,;-2.33,-4.6,;-1,-3.83,;.34,-4.6,;.34,-6.14,;-.98,-2.29,;.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,;2.47,6.53,;1.72,5.09,;1.72,7.88,;2.5,9.2,;.18,7.9,;-2.28,.11,;-3.61,.88,;-4.95,.11,;-4.95,-1.43,;-6.28,-2.2,;-7.62,-1.43,;-9.08,-1.9,;-9.98,-.66,;-9.08,.59,;-7.62,.11,;-6.28,.88,;-2.28,-1.43,;.34,-10.76,;1.67,-11.53,;-1,-11.53,;-2.48,-11.13,;-2.88,-12.62,;-1.39,-13.02,;-2.21,-11.63,;-4.22,-13.39,;-5.55,-12.62,;-4.22,-14.93,;-2.88,-14.16,)|
Structure:
