Reaction Details Report a problem with these data
Target
Scytalone dehydratase
Ligand
BDBM50486974
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
0.027000±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:
BDBM50486974
Synonyms:
CHEMBL2251862
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:5.4,8.9,wD:1.0,(40.03,-33.88,;40.05,-35.42,;38.72,-36.2,;37.38,-35.45,;37.37,-33.91,;36.06,-36.23,;36.04,-37.76,;34.97,-37.32,;33.88,-36.24,;32.54,-37,;32.78,-35.14,;33.17,-33.65,;34.96,-35.15,;41.39,-36.17,;41.4,-37.71,;42.74,-38.47,;44.07,-37.68,;45.41,-38.44,;44.05,-36.13,;42.7,-35.39,)|
Structure:
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