Reaction Details Report a problem with these data
Target
Scytalone dehydratase
Ligand
BDBM50486961
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
0.016000±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:
BDBM50486961
Synonyms:
CHEMBL2251863
Type:
Small organic molecule
Emp. Form.:
C15H18BrCl2NO
Mol. Mass.:
379.12
SMILES:
C[C@@H](NC(=O)[C@]1(C)C[C@@](Cl)(CCl)C1)c1ccc(Br)cc1 |r,wU:8.9,wD:5.4,1.0,(9.94,-41.23,;9.96,-42.77,;8.63,-43.55,;7.29,-42.8,;7.27,-41.26,;5.97,-43.58,;5.95,-45.11,;4.88,-44.67,;3.78,-43.59,;2.68,-42.49,;2.44,-44.35,;1.11,-43.57,;4.87,-42.5,;11.3,-43.52,;11.31,-45.06,;12.65,-45.82,;13.97,-45.03,;15.32,-45.79,;13.95,-43.48,;12.61,-42.74,)|
Structure:
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