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Target
Scytalone dehydratase
Ligand
BDBM50486959
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
480±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:
BDBM50486959
Synonyms:
CHEMBL2251865
Type:
Small organic molecule
Emp. Form.:
C15H20BrNO2
Mol. Mass.:
326.229
SMILES:
C[C@@H](NC(=O)[C@@]1(C)C[C@@](C)(O)C1)c1ccc(Br)cc1 |r,wU:5.4,8.9,wD:1.0,(40.13,-40.58,;40.15,-42.12,;38.82,-42.91,;37.48,-42.15,;37.47,-40.61,;36.16,-42.93,;36.14,-44.47,;35.07,-44.03,;33.98,-42.94,;32.88,-41.85,;32.64,-43.71,;35.06,-41.85,;41.49,-42.88,;41.5,-44.41,;42.84,-45.17,;44.17,-44.39,;45.51,-45.14,;44.15,-42.84,;42.8,-42.09,)|
Structure:
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