Reaction Details Report a problem with these data
Target
Scytalone dehydratase
Ligand
BDBM50486966
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
0.026000±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:
BDBM50486966
Synonyms:
CHEMBL2114191
Type:
Small organic molecule
Emp. Form.:
C15H16BrClF3NO
Mol. Mass.:
398.646
SMILES:
C[C@@H](NC(=O)[C@]1(C[C@@](C)(Cl)C1)C(F)(F)F)c1ccc(Br)cc1 |wU:5.4,wD:7.7,1.0,(6.11,-1.45,;6.11,-2.99,;4.79,-3.76,;3.47,-2.99,;3.47,-1.45,;1.92,-2.99,;.83,-4.07,;-.25,-2.98,;-1.03,-1.65,;-1.34,-4.05,;.84,-1.9,;2.32,-4.47,;2.71,-5.97,;1.28,-5.9,;3.92,-5.2,;7.45,-3.76,;7.45,-5.3,;8.79,-6.07,;10.12,-5.3,;11.45,-6.07,;10.12,-3.76,;8.79,-2.99,)|
Structure:
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