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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = '2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase


(Escherichia coli O6)
BDBM50125056
PNG
(Phosphoric acid mono-(2,3,4-trihydroxy-3-methyl-bu...)
Show SMILES C[C@@](O)(CO)[C@@H](O)COP([O-])([O-])=O
Show InChI InChI=1S/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/p-2/t4-,5+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.40E+8n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Inhibition of 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (YgbP)


Bioorg Med Chem Lett 13: 737-9 (2003)


BindingDB Entry DOI: 10.7270/Q2QV3N33
More data for this
Ligand-Target Pair
2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic


(Arabidopsis thaliana)
BDBM50488598
PNG
(CHEMBL2289489)
Show SMILES Oc1c(Cc2ccccc2)c(Cl)nc2c(cnn12)C#N
Show InChI InChI=1S/C14H9ClN4O/c15-12-11(6-9-4-2-1-3-5-9)14(20)19-13(18-12)10(7-16)8-17-19/h1-5,8,20H,6H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



BASF-SE

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana IspD


Pest Manag Sci 69: 559-63 (2013)


Article DOI: 10.1002/ps.3479
BindingDB Entry DOI: 10.7270/Q2DZ0C67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic


(Arabidopsis thaliana)
BDBM50488594
PNG
(CHEMBL2289491)
Show SMILES Oc1c(Cc2ccccc2)c(Cl)nc2ncnn12
Show InChI InChI=1S/C12H9ClN4O/c13-10-9(6-8-4-2-1-3-5-8)11(18)17-12(16-10)14-7-15-17/h1-5,7,18H,6H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



BASF-SE

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana IspD


Pest Manag Sci 69: 559-63 (2013)


Article DOI: 10.1002/ps.3479
BindingDB Entry DOI: 10.7270/Q2DZ0C67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic


(Arabidopsis thaliana)
BDBM50488599
PNG
(CHEMBL2289492)
Show SMILES COc1ccc2nc(NC(=O)c3cc(n[nH]3)-c3ccccc3O)sc2c1
Show InChI InChI=1S/C18H14N4O3S/c1-25-10-6-7-12-16(8-10)26-18(19-12)20-17(24)14-9-13(21-22-14)11-4-2-3-5-15(11)23/h2-9,23H,1H3,(H,21,22)(H,19,20,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



BASF-SE

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana IspD


Pest Manag Sci 69: 559-63 (2013)


Article DOI: 10.1002/ps.3479
BindingDB Entry DOI: 10.7270/Q2DZ0C67
More data for this
Ligand-Target Pair
2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic


(Arabidopsis thaliana)
BDBM50488592
PNG
(CHEMBL2289493)
Show SMILES COc1ccc2nc(NC(=O)COc3ccc(cc3)-c3ccccc3)sc2c1
Show InChI InChI=1S/C22H18N2O3S/c1-26-18-11-12-19-20(13-18)28-22(23-19)24-21(25)14-27-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



BASF-SE

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana IspD


Pest Manag Sci 69: 559-63 (2013)


Article DOI: 10.1002/ps.3479
BindingDB Entry DOI: 10.7270/Q2DZ0C67
More data for this
Ligand-Target Pair