Reaction Details Report a problem with these data
Target
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase
Ligand
BDBM50562011
Substrate
n/a
Meas. Tech.
ChEMBL_2076657 (CHEMBL4732448)
IC50
68000±n/a nM
Citation
 Ropponen, HK; Diamanti, E; Siemens, A; Illarionov, B; Haupenthal, J; Fischer, M; Rottmann, M; Witschel, M; Hirsch, AKH Assessment of the rules related to gaining activity against Gram-negative bacteria. RSC Med Chem 12:593-601 (2021) [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:
BDBM50562011
Synonyms:
CHEMBL4752949
Type:
Small organic molecule
Emp. Form.:
C17H19N3OS2
Mol. Mass.:
345.482
SMILES:
CCCn1c(C)cc(c1C)-c1csc(NC(=O)c2cccs2)n1
Structure:
Search PDB for entries with ligand similarity: