Reaction Details Report a problem with these data
Target
Scytalone dehydratase
Ligand
BDBM50486965
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
0.430000±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:
BDBM50486965
Synonyms:
CHEMBL2251874
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 |r,wU:7.8,wD:5.4,1.0,(24.57,-11.74,;24.59,-13.28,;23.26,-14.06,;21.92,-13.31,;21.9,-11.77,;20.59,-14.09,;19.48,-15.16,;18.41,-14.05,;17.31,-15.13,;17.07,-13.27,;19.53,-12.98,;21.68,-15.17,;21.28,-16.66,;23.16,-14.77,;22.77,-16.26,;25.93,-14.04,;25.93,-15.57,;27.28,-16.33,;28.6,-15.54,;29.95,-16.3,;28.58,-14,;27.24,-13.25,)|
Structure:
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