Reaction Details Report a problem with these data
Target
Scytalone dehydratase
Ligand
BDBM50486975
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
0.011000±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:
BDBM50486975
Synonyms:
CHEMBL2251221
Type:
Small organic molecule
Emp. Form.:
C15H15Cl3F3NO
Mol. Mass.:
388.64
SMILES:
C[C@@H](NC(=O)[C@@]1(C[C@@](C)(Cl)C1)C(F)(F)F)c1ccc(Cl)cc1Cl |r,wU:7.8,wD:5.4,1.0,(9.6,-20.54,;9.61,-22.08,;8.29,-22.87,;6.95,-22.11,;6.93,-20.57,;5.62,-22.9,;4.51,-23.96,;3.44,-22.85,;2.34,-23.93,;2.1,-22.07,;4.55,-21.79,;6.7,-23.98,;6.31,-25.47,;8.19,-23.58,;7.79,-25.07,;10.95,-22.84,;10.96,-24.38,;12.3,-25.13,;13.63,-24.35,;14.97,-25.1,;13.61,-22.8,;12.27,-22.05,;12.24,-20.51,)|
Structure:
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