Reaction Details Report a problem with these data
Target
Microtubule-associated proteins 1A/1B light chain 3B
Ligand
BDBM500096
Substrate
n/a
Meas. Tech.
Assay Targeting LC3B
IC50
750±n/a nM
Citation
 Yao, Z; Luo, C; Xie, Y; Yue, L; Wan, W; Zhang, Y; Jiang, H; Chen, K Class of isoindolone-imide ring-1,3-dione-2-ene compounds, composition and use thereof US Patent  US11021457 Publication Date 6/1/2021 
Target
Name:
Microtubule-associated proteins 1A/1B light chain 3B
Synonyms:
Autophagy-related protein LC3 B | Autophagy-related ubiquitin-like modifier LC3 B | MAP1 light chain 3-like protein 2 | MAP1A/MAP1B LC3 B | MAP1A/MAP1B light chain 3 B | MAP1ALC3 | MAP1LC3B | MLP3B_HUMAN | Microtubule-associated protein 1 light chain 3 beta
Type:
Protein
Mol. Mass.:
14691.38
Organism:
Human
Description:
Q9GZQ8
Residue:
125
Sequence:
MPSEKTFKQRRTFEQRVEDVRLIREQHPTKIPVIIERYKGEKQLPVLDKTKFLVPDHVNMSELIKIIRRRLQLNANQAFFLLVNGHSMVSVSTPISEVYESEKDEDGFLYMVYASQETFGMKLSV
  
Inhibitor
Name:
BDBM500096
Synonyms:
US11021457, Compound 108
Type:
Small organic molecule
Emp. Form.:
C28H28N4O5
Mol. Mass.:
500.5457
SMILES:
O=C1N(Cc2c1cccc2NCCNC=C1C(=O)CC(CC1=O)c1ccccc1)C1CCC(=O)NC1=O |(9.5,-11.29,;8.73,-12.63,;9.63,-13.87,;8.73,-15.12,;7.26,-14.64,;7.26,-13.1,;5.93,-12.33,;4.6,-13.1,;4.6,-14.64,;5.93,-15.41,;5.93,-16.95,;4.6,-17.72,;4.6,-19.26,;3.26,-20.03,;3.26,-21.57,;1.93,-22.34,;1.93,-23.88,;3.26,-24.65,;.59,-24.65,;-.74,-23.88,;-.74,-22.34,;.59,-21.57,;.59,-20.03,;-2.07,-24.65,;-2.07,-26.19,;-3.41,-26.96,;-4.74,-26.19,;-4.74,-24.65,;-3.41,-23.88,;11.17,-13.87,;11.94,-15.21,;13.48,-15.21,;14.25,-13.87,;15.79,-13.87,;13.48,-12.54,;11.94,-12.54,;11.17,-11.21,)|
Structure:
Search PDB for entries with ligand similarity: