Reaction Details Report a problem with these data
Target
Polyphenol oxidase 2
Ligand
BDBM50335803
Substrate
n/a
Meas. Tech.
ChEMBL_715239 (CHEMBL1664440)
IC50
3800±n/a nM
Citation
 Jacobsen, JA; Fullagar, JL; Miller, MT; Cohen, SM Identifying chelators for metalloprotein inhibitors using a fragment-based approach. J Med Chem 54:591-602 (2011) [PubMed]  Article 
Target
Name:
Polyphenol oxidase 2
Synonyms:
Monophenol monooxygenase | Monophenol oxidase | PPO2 | PPO2_AGABI | Tyrosinase
Type:
Protein
Mol. Mass.:
63923.66
Organism:
Agaricus bisporus (Common mushroom)
Description:
O42713
Residue:
556
Sequence:
MSLIATVGPTGGVKNRLNIVDFVKNEKFFTLYVRSLELLQAKEQHDYSSFFQLAGIHGLPFTEWAKERPSMNLYKAGYCTHGQVLFPTWHRTYLSVLEQILQGAAIEVAKKFTSNQTDWVQAAQDLRQPYWDWGFELMPPDEVIKNEEVNITNYDGKKISVKNPILRYHFHPIDPSFKPYGDFATWRTTVRNPDRNRREDIPGLIKKMRLEEGQIREKTYNMLKFNDAWERFSNHGISDDQHANSLESVHDDIHVMVGYGKIEGHMDHPFFAAFDPIFWLHHTNVDRLLSLWKAINPDVWVTSGRNRDGTMGIAPNAQINSETPLEPFYQSGDKVWTSASLADTARLGYSYPDFDKLVGGTKELIRDAIDDLIDERYGSKPSSGARNTAFDLLADFKGITKEHKEDLKMYDWTIHVAFKKFELKESFSLLFYFASDGGDYDQENCFVGSINAFRGTAPETCANCQDNENLIQEGFIHLNHYLARDLESFEPQDVHKFLKEKGLSYKLYSRGDKPLTSLSVKIEGRPLHLPPGEHRPKYDHTQARVVFDDVAVHVIN
  
Inhibitor
Name:
BDBM50335803
Synonyms:
3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL1650615 | Thiomaltol
Type:
Small organic molecule
Emp. Form.:
C6H6O2S
Mol. Mass.:
142.176
SMILES:
Cc1occc(=S)c1O
Structure:
Search PDB for entries with ligand similarity: