Reaction Details Report a problem with these data
Target
Scytalone dehydratase
Ligand
BDBM50486958
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
0.012000±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:
BDBM50486958
Synonyms:
CHEMBL2251869
Type:
Small organic molecule
Emp. Form.:
C15H18Cl3NO
Mol. Mass.:
334.669
SMILES:
C[C@@H](NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1)c1ccc(Cl)cc1Cl |r,wU:5.4,8.9,wD:1.0,(10.61,-1.98,;10.62,-3.52,;9.3,-4.3,;7.96,-3.55,;7.94,-2.01,;6.63,-4.33,;6.62,-5.86,;5.55,-5.43,;4.45,-4.34,;3.11,-5.1,;3.35,-3.24,;5.54,-3.25,;11.97,-4.27,;11.97,-5.81,;13.31,-6.57,;14.64,-5.78,;15.98,-6.54,;14.62,-4.24,;13.28,-3.49,;13.25,-1.95,)|
Structure:
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