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Target
Bcl-2 homologous antagonist/killer
Ligand
BDBM50330250
Substrate
n/a
Meas. Tech.
ChEMBL_2201151 (CHEMBL5113859)
IC50
122000±n/a nM
Citation
 Negi, A; Murphy, PV Development of Mcl-1 inhibitors for cancer therapy. Eur J Med Chem 210:0 (2021) [PubMed] 
Target
Name:
Bcl-2 homologous antagonist/killer
Synonyms:
Apoptosis regulator BAK | BAK | BAK1 | BAK_HUMAN | BCL2L7 | Bcl-2 homologous antagonist/killer | Bcl-2-like protein 7 | Bcl2-L-7 | CDN1
Type:
PROTEIN
Mol. Mass.:
23406.37
Organism:
Homo sapiens
Description:
ChEMBL_117067
Residue:
211
Sequence:
MASGQGPGPPRQECGEPALPSASEEQVAQDTEEVFRSYVFYRHQQEQEAEGVAAPADPEMVTLPLQPSSTMGQVGRQLAIIGDDINRRYDSEFQTMLQHLQPTAENAYEYFTKIATSLFESGINWGRVVALLGFGYRLALHVYQHGLTGFLGQVTRFVVDFMLHHCIARWIAQRGGWVAALNLGNGPILNVLVVLGVVLLGQFVVRRFFKS
  
Inhibitor
Name:
BDBM50330250
Synonyms:
5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl-2,2'-binaphthyl-1,1',4,4'-tetraone | CHEMBL1269107
Type:
Small organic molecule
Emp. Form.:
C36H26O8
Mol. Mass.:
586.5868
SMILES:
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)|
Structure:
Search PDB for entries with ligand similarity: