Reaction Details Report a problem with these data
Target
UDP-glucose 4-epimerase
Ligand
BDBM50322667
Substrate
n/a
Meas. Tech.
ChEMBL_642050 (CHEMBL1176082)
IC50
900±n/a nM
Citation
 Durrant, JD; Urbaniak, MD; Ferguson, MA; McCammon, JA Computer-aided identification of Trypanosoma brucei uridine diphosphate galactose 4'-epimerase inhibitors: toward the development of novel therapies for African sleeping sickness. J Med Chem 53:5025-32 (2010) [PubMed]  Article 
Target
Name:
UDP-glucose 4-epimerase
Synonyms:
UDP-galactose 4-epimerase
Type:
PROTEIN
Mol. Mass.:
43523.37
Organism:
Trypanosoma brucei
Description:
ChEMBL_642050
Residue:
395
Sequence:
MRVLVCGGAGYIGSHFVRALLRDTNHSVVIVDSLVGTHGKSDHVETRENVARKLQQSDGPKPPWADRYAALEVGDVRNEDFLNGVFTRHGPIDAVVHMCAFLAVGESVRDPLKYYDNNVVGILRLLQAMLLHKCDKIIFSSSAAIFGNPTMGSVSTNAEPIDINAKKSPESPYGESKLIAERMIRDCAEAYGIKGICLRYFNACGAHEDGDIGEHYQGSTHLIPIILGRVMSDIAPDQRLTIHEDASTDKRMPIFGTDYPTPDGTCVRDYVHVCDLASAHILALDYVEKLGPNDKSKYFSVFNLGTSRGYSVREVIEVARKTTGHPIPVRECGRREGDPAYLVAASDKAREVLGWKPKYDTLEAIMETSWKFQRTHPNGYASQENGTPGGRTTKL
  
Inhibitor
Name:
BDBM50322667
Synonyms:
2',2''-(9H-fluorene-2,7-diyl)bis(azanediyl)bis(oxomethylene)dibiphenyl-2-carboxylic acid | CHEMBL1172557
Type:
Small organic molecule
Emp. Form.:
C41H28N2O6
Mol. Mass.:
644.6708
SMILES:
OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc-2c(Cc3cc(NC(=O)c4ccccc4-c4ccccc4C(O)=O)ccc-23)c1
Structure:
Search PDB for entries with ligand similarity: