Reaction Details Report a problem with these data
Target
Scytalone dehydratase
Ligand
BDBM50486954
Substrate
n/a
Meas. Tech.
ChEMBL_907765 (CHEMBL3065688)
Ki
0.067000±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:
BDBM50486954
Synonyms:
CHEMBL2251875
Type:
Small organic molecule
Emp. Form.:
C15H16Cl2F3NO
Mol. Mass.:
354.195
SMILES:
C[C@@H](NC(=O)[C@@]1(C[C@@](C)(Cl)C1)C(F)(F)F)c1ccc(Cl)cc1 |r,wU:7.8,wD:1.0,5.4,(29.18,-22.69,;29.2,-24.23,;27.87,-25.01,;26.53,-24.26,;26.51,-22.72,;25.2,-25.04,;24.09,-26.11,;23.02,-25,;21.92,-26.08,;21.68,-24.22,;24.14,-23.93,;25.97,-26.37,;25.21,-27.71,;26.74,-27.7,;27.44,-26.76,;30.54,-24.99,;31.85,-24.2,;33.19,-24.95,;33.21,-26.5,;34.56,-27.25,;31.89,-27.28,;30.55,-26.52,)|
Structure:
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