Reaction Details Report a problem with these data
Target
Apoptosis regulator Bcl-2
Ligand
BDBM552922
Substrate
n/a
Meas. Tech.
Bcl-2 Protein Family Binding Assay
Kd
<10±n/a nM
Citation
 Pinchman, JR; Huang, PQ; Bunker, KD; Sit, RK; Samatar, AA Benzamide compounds US Patent  US11590126 Publication Date 2/28/2023 
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:
BDBM552922
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 | US11318134, Example 32 | US11590126, 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:59,(3.82,-12.02,;3.05,-10.69,;4.59,-10.69,;3.05,-9.15,;1.72,-8.38,;.39,-9.15,;-.95,-8.38,;-.95,-6.84,;-2.28,-6.07,;-2.28,-4.53,;-.95,-3.76,;.39,-4.53,;.39,-6.07,;-.95,-2.22,;.39,-1.45,;.39,.09,;-.95,.86,;-.95,2.4,;-2.28,3.17,;.39,3.17,;1.72,2.4,;.84,.88,;3.25,1.52,;2.49,3.74,;4.03,3.74,;4.8,5.07,;4.03,6.4,;4.8,7.74,;6.34,7.74,;7.11,9.07,;6.34,10.41,;7.11,11.74,;8.65,11.74,;9.98,12.51,;8.65,13.28,;9.42,10.41,;8.65,9.07,;2.46,6.45,;1.72,5.07,;1.69,7.79,;2.46,9.12,;.15,7.79,;-2.28,.09,;-3.61,.86,;-4.95,.09,;-4.95,-1.45,;-6.28,-2.22,;-7.61,-1.45,;-9.08,-1.92,;-9.98,-.68,;-9.08,.57,;-7.61,.09,;-6.28,.86,;-2.28,-1.45,;.39,-10.69,;1.72,-11.46,;-.95,-11.46,;-2.43,-11.06,;-2.84,-12.52,;-1.19,-13.1,;-1.48,-12.51,;-4.19,-13.28,;-5.51,-12.49,;-4.2,-14.82,;-5.53,-14.03,)|
Structure:
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