Reaction Details Report a problem with these data
Target
Alpha-synuclein
Ligand
BDBM50236531
Substrate
n/a
Meas. Tech.
ChEMBL_2045852 (CHEMBL4700551)
IC50
3600±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:
Homo sapiens (Human)
Description:
P37840
Residue:
140
Sequence:
MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
  
Inhibitor
Name:
BDBM50236531
Synonyms:
(-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate | CHEMBL264938 | Gallocatechin 3-O-gallate | gallocatechin gallate
Type:
Small organic molecule
Emp. Form.:
C22H18O11
Mol. Mass.:
458.3717
SMILES:
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
Structure:
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