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Target
2-dehydropantoate 2-reductase
Ligand
BDBM50370754
Substrate
n/a
Meas. Tech.
ChEMBL_382751 (CHEMBL854530)
Kd
153000±n/a nM
Citation
 Ciulli, A; Williams, G; Smith, AG; Blundell, TL; Abell, C Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods. J Med Chem 49:4992-5000 (2006) [PubMed]  Article 
Target
Name:
2-dehydropantoate 2-reductase
Synonyms:
Ketopantoate reductase | PANE_ECOLI | apbA | panE
Type:
PROTEIN
Mol. Mass.:
33866.35
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_382751
Residue:
303
Sequence:
MKITVLGCGALGQLWLTALCKQGHEVQGWLRVPQPYCSVNLVETDGSIFNESLTANDPDFLATSDLLLVTLKAWQVSDAVKSLASTLPVTTPILLIHNGMGTIEELQNIQQPLLMGTTTHAARRDGNVIIHVANGITHIGPARQQDGDYSYLADILQTVLPDVAWHNNIRAELWRKLAVNCVINPLTAIWNCPNGELRHHPQEIMQICEEVAAVIEREGHHTSAEDLRDYVMQVIDATAENISSMLQDIRALRHTEIDYINGFLLRRARAHGIAVPENTRLFEMVKRKESEYERIGTGLPRPW
  
Inhibitor
Name:
BDBM50370754
Synonyms:
CHEMBL252929
Type:
Small organic molecule
Emp. Form.:
C10H18N5O14P3
Mol. Mass.:
525.1963
SMILES:
Nc1nc2N(CNc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Structure:
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