Target
2-dehydropantoate 2-reductase
Ligand
BDBM14671
Substrate
n/a
Meas. Tech.
ChEMBL_382750 (CHEMBL854529)
Ki
27000000±n/a nM
Citation
 Ciulli, AWilliams, GSmith, AGBlundell, TLAbell, 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:
BDBM14671
Synonyms:
Fragment 1 | Phosphate | phosphoric acid
Type:
Small organic molecule
Emp. Form.:
H3O4P
Mol. Mass.:
97.9952
SMILES:
OP(O)(O)=O
Structure:
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