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Target
Scytalone dehydratase
Ligand
BDBM50080935
Substrate
n/a
Meas. Tech.
ChEBML_199521
Ki
0.780000±n/a nM
Citation
 Jennings, LD; Wawrzak, Z; Amorose, D; Schwartz, RS; Jordan, DB A new potent inhibitor of fungal melanin biosynthesis identified through combinatorial chemistry. Bioorg Med Chem Lett 9:2509-14 (1999) [PubMed]
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:
BDBM50080935
Synonyms:
3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecarboxylic acid [(R)-2-(2-fluoro-phenoxy)-1-methyl-ethyl]-amide | CHEMBL85505
Type:
Small organic molecule
Emp. Form.:
C16H18ClF4NO2
Mol. Mass.:
367.766
SMILES:
C[C@H](COc1ccccc1F)NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F |wD:1.0,(-.05,-3.06,;-.05,-4.6,;1.28,-5.36,;2.61,-4.59,;3.95,-5.36,;3.95,-6.9,;5.27,-7.65,;6.61,-6.88,;6.59,-5.34,;5.26,-4.57,;5.24,-3.03,;-1.38,-5.37,;-2.72,-4.6,;-2.72,-3.06,;-4.26,-4.59,;-5.35,-5.66,;-6.44,-4.57,;-7.53,-5.66,;-7.21,-3.24,;-5.35,-3.5,;-3.87,-6.07,;-4.9,-7.49,;-2.27,-6.78,;-3.47,-7.55,)|
Structure:
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