Reaction Details Report a problem with these data
Target
Alpha-synuclein
Ligand
BDBM50133496
Substrate
n/a
Meas. Tech.
ChEMBL_2045853 (CHEMBL4700552)
IC50
210±n/a nM
Citation
 Oliveri, V Toward the discovery and development of effective modulators of ?-synuclein amyloid aggregation. Eur J Med Chem 167:10-36 (2019) [PubMed]  Article 
Target
Name:
Alpha-synuclein
Synonyms:
NACP | PARK1 | SNCA | SYUA_HUMAN
Type:
Protein
Mol. Mass.:
14451.42
Organism:
Human
Description:
P37840
Residue:
140
Sequence:
MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
  
Inhibitor
Name:
BDBM50133496
Synonyms:
(2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid | (R)-rosmarinic acid | CHEMBL324842 | Rosmarinic acid, 2 | US10688093, Compound rosmarinic acid | US11701353, rosmarinic acid | cid_5281792
Type:
Small organic molecule
Emp. Form.:
C18H16O8
Mol. Mass.:
360.3148
SMILES:
OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: