Reaction Details Report a problem with these data
Target
Polyphenol oxidase 2
Ligand
BDBM50324035
Substrate
n/a
Meas. Tech.
ChEMBL_647410 (CHEMBL1217571)
Ki
9850±n/a nM
Citation
 Bandgar, BP; Totre, JV; Gawande, SS; Khobragade, CN; Warangkar, SC; Kadam, PD Synthesis of novel 3,5-diaryl pyrazole derivatives using combinatorial chemistry as inhibitors of tyrosinase as well as potent anticancer, anti-inflammatory agents. Bioorg Med Chem 18:6149-55 (2010) [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:
BDBM50324035
Synonyms:
2-[5-(2-Chloro-4-nitro-phenyl)-1H-pyrazol-3-yl]-6-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-3,5-dimethoxyphenol | CHEMBL1214239
Type:
Small organic molecule
Emp. Form.:
C23H25ClN4O6
Mol. Mass.:
488.921
SMILES:
COc1cc(OC)c(-c2cc(n[nH]2)-c2ccc(cc2Cl)[N+]([O-])=O)c(O)c1C1CCN(C)C1CO
Structure:
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