Reaction Details Report a problem with these data
Target
Scytalone dehydratase
Ligand
BDBM50486970
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
28±n/a nM
Citation
 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Cyclobutane carboxamide inhibitors of fungal melanin: biosynthesis and their evaluation as fungicides. Bioorg Med Chem 8:897-907 (2000) [PubMed]  Article 
Target
Name:
Scytalone dehydratase
Synonyms:
SCYD_MAGO7 | SDH1 | Scytalone dehydratase
Type:
PROTEIN
Mol. Mass.:
20248.63
Organism:
Magnaporthe grisea
Description:
ChEMBL_199536
Residue:
172
Sequence:
MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK
  
Inhibitor
Name:
BDBM50486970
Synonyms:
CHEMBL2251867
Type:
Small organic molecule
Emp. Form.:
C16H18BrNO2
Mol. Mass.:
336.224
SMILES:
C[C@@H](NC(=O)[C@]1(C)C[C@](O)(C1)C#C)c1ccc(Br)cc1 |r,wU:5.4,8.8,wD:1.0,(29.6,-48.09,;29.62,-49.63,;28.29,-50.42,;26.95,-49.66,;26.93,-48.12,;25.63,-50.44,;25.61,-51.98,;24.53,-49.36,;23.44,-50.45,;22.34,-49.36,;24.54,-51.54,;22.1,-51.22,;20.78,-51.99,;30.96,-50.39,;30.97,-51.93,;32.31,-52.68,;33.63,-51.9,;34.98,-52.65,;33.61,-50.35,;32.27,-49.6,)|
Structure:
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