| Reaction Details |
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 | Report a problem with these data |
| Target | Polyphenol oxidase 2 |
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| Ligand | BDBM50198711 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_453391 (CHEMBL902545) |
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| IC50 | 2610±n/a nM |
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| Citation |  Casañola-Martín, GM; Marrero-Ponce, Y; Khan, MT; Ather, A; Sultan, S; Torrens, F; Rotondo, R TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: evaluation of different classification model combinations using bond-based linear indices. Bioorg Med Chem15:1483-503 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Polyphenol oxidase 2 |
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| Name: | Polyphenol oxidase 2 |
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| Synonyms: | Monophenol monooxygenase | Monophenol oxidase | PPO2 | PPO2_AGABI | Tyrosinase |
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| Type: | Protein |
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| Mol. Mass.: | 63923.66 |
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| Organism: | Agaricus bisporus (Common mushroom) |
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| Description: | O42713 |
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| Residue: | 556 |
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| Sequence: | MSLIATVGPTGGVKNRLNIVDFVKNEKFFTLYVRSLELLQAKEQHDYSSFFQLAGIHGLP
FTEWAKERPSMNLYKAGYCTHGQVLFPTWHRTYLSVLEQILQGAAIEVAKKFTSNQTDWV
QAAQDLRQPYWDWGFELMPPDEVIKNEEVNITNYDGKKISVKNPILRYHFHPIDPSFKPY
GDFATWRTTVRNPDRNRREDIPGLIKKMRLEEGQIREKTYNMLKFNDAWERFSNHGISDD
QHANSLESVHDDIHVMVGYGKIEGHMDHPFFAAFDPIFWLHHTNVDRLLSLWKAINPDVW
VTSGRNRDGTMGIAPNAQINSETPLEPFYQSGDKVWTSASLADTARLGYSYPDFDKLVGG
TKELIRDAIDDLIDERYGSKPSSGARNTAFDLLADFKGITKEHKEDLKMYDWTIHVAFKK
FELKESFSLLFYFASDGGDYDQENCFVGSINAFRGTAPETCANCQDNENLIQEGFIHLNH
YLARDLESFEPQDVHKFLKEKGLSYKLYSRGDKPLTSLSVKIEGRPLHLPPGEHRPKYDH
TQARVVFDDVAVHVIN
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| BDBM50198711 |
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| n/a |
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| Name | BDBM50198711 |
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| Synonyms: | (8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,7,8,10,11,12,13,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one | CHEMBL241694 | ethisterone |
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| Type | Small organic molecule |
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| Emp. Form. | C21H28O2 |
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| Mol. Mass. | 312.4458 |
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| SMILES | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C |t:8| |
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| Structure | 
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