Reaction Details Report a problem with these data
Target
Scytalone dehydratase
Ligand
BDBM50486953
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
0.100000±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:
BDBM50486953
Synonyms:
CHEMBL2251861
Type:
Small organic molecule
Emp. Form.:
C15H19BrClNO
Mol. Mass.:
344.674
SMILES:
C[C@@H](NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1)c1ccc(Br)cc1 |r,wU:5.4,8.9,wD:1.0,(24.86,-34.05,;24.87,-35.59,;23.55,-36.37,;22.21,-35.62,;22.19,-34.08,;20.88,-36.4,;20.87,-37.93,;19.8,-37.5,;18.7,-36.41,;17.36,-37.17,;17.6,-35.31,;19.79,-35.32,;26.22,-36.34,;26.22,-37.88,;27.56,-38.64,;28.89,-37.85,;30.23,-38.61,;28.87,-36.31,;27.53,-35.56,)|
Structure:
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