Reaction Details Report a problem with these data
Target
Scytalone dehydratase
Ligand
BDBM50486964
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
0.350000±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:
BDBM50486964
Synonyms:
CHEMBL2251855
Type:
Small organic molecule
Emp. Form.:
C16H18ClF4NO2
Mol. Mass.:
367.766
SMILES:
C[C@H](COc1ccccc1F)NC(=O)[C@@]1(C[C@@](C)(Cl)C1)C(F)(F)F |r,wU:16.18,wD:14.14,1.0,(25.38,-23.54,;25.39,-25.08,;26.73,-25.83,;28.05,-25.06,;29.39,-25.81,;29.4,-27.35,;30.74,-28.11,;32.07,-27.32,;32.05,-25.77,;30.7,-25.03,;30.68,-23.48,;24.06,-25.86,;22.71,-25.11,;22.7,-23.56,;21.38,-25.89,;20.27,-26.95,;19.21,-25.84,;18.1,-26.92,;17.87,-25.07,;20.32,-24.78,;22.17,-27.21,;22.95,-28.54,;23.71,-27.19,;21.41,-28.55,)|
Structure:
Search PDB for entries with ligand similarity: