Reaction Details Report a problem with these data
Target
Scytalone dehydratase
Ligand
BDBM50486976
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
44±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:
BDBM50486976
Synonyms:
CHEMBL2251857
Type:
Small organic molecule
Emp. Form.:
C14H17BrClNO
Mol. Mass.:
330.648
SMILES:
C[C@@H](NC(=O)[C@H]1C[C@@](C)(Cl)C1)c1ccc(Br)cc1 |r,wU:5.4,7.8,wD:1.0,(7.79,-27.66,;7.81,-29.2,;6.48,-29.98,;5.14,-29.23,;5.12,-27.69,;3.82,-30.01,;2.73,-31.11,;1.64,-30.02,;.3,-30.78,;.54,-28.92,;2.72,-28.93,;9.15,-29.96,;9.16,-31.49,;10.5,-32.25,;11.82,-31.46,;13.17,-32.22,;11.8,-29.92,;10.46,-29.17,)|
Structure:
Search PDB for entries with ligand similarity: