Reaction Details Report a problem with these data
Target
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase
Ligand
BDBM50488597
Substrate
n/a
Meas. Tech.
ChEMBL_925782 (CHEMBL3069075)
IC50
1700±n/a nM
Citation
 Witschel, M; Röhl, F; Niggeweg, R; Newton, T In search of new herbicidal inhibitors of the non-mevalonate pathway. Pest Manag Sci 69:559-63 (2013) [PubMed]  Article 
Target
Name:
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase
Synonyms:
2.7.1.148 | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | CMK | ISPE_ECOLI | ipk | ispE | ychB | ychB
Type:
PROTEIN
Mol. Mass.:
30917.95
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_106624
Residue:
283
Sequence:
MRTQWPSPAKLNLFLYITGQRADGYHTLQTLFQFLDYGDTISIELRDDGDIRLLTPVEGVEHEDNLIVRAARLLMKTAADSGRLPTGSGANISIDKRLPMGGGLGGGSSNAATVLVALNHLWQCGLSMDELAEMGLTLGADVPVFVRGHAAFAEGVGEILTPVDPPEKWYLVAHPGVSIPTPVIFKDPELPRNTPKRSIETLLKCEFSNDCEVIARKRFREVDAVLSWLLEYAPSRLTGTGACVFAEFDTESEARQVLEQAPEWLNGFVAKGANLSPLHRAML
  
Inhibitor
Name:
BDBM50488597
Synonyms:
CHEMBL2289488
Type:
Small organic molecule
Emp. Form.:
C21H23F3N6O7
Mol. Mass.:
528.4385
SMILES:
OC(=O)C(F)(F)F.Nc1ccn([C@@H]2O[C@H](CNC(=O)CCc3nc4ccccc4[nH]3)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Structure:
Search PDB for entries with ligand similarity: