Reaction Details Report a problem with these data
Target
Scytalone dehydratase
Ligand
BDBM50486972
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
0.030000±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:
BDBM50486972
Synonyms:
CHEMBL2251872
Type:
Small organic molecule
Emp. Form.:
C16H21BrClNO2
Mol. Mass.:
374.7
SMILES:
COc1cc(Br)ccc1C(C)NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1 |r,wU:14.14,17.19,(13.59,-9.79,;12.27,-10.58,;12.29,-12.12,;13.63,-12.87,;13.65,-14.42,;15,-15.17,;12.33,-15.2,;10.99,-14.45,;10.98,-12.91,;9.64,-12.15,;9.62,-10.61,;8.31,-12.94,;6.97,-12.18,;6.95,-10.64,;5.65,-12.96,;5.63,-14.5,;4.56,-14.06,;3.46,-12.97,;2.12,-13.74,;2.36,-11.88,;4.55,-11.88,)|
Structure:
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