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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Methyl-accepting chemotaxis protein (McpS)'   
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
Methyl-accepting chemotaxis protein (McpS)


(Pseudomonas putida (Arthrobacter siderocapsulatus))
BDBM92495
PNG
(Malate)
Show SMILES OC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
KEGG

UniProtKB/SwissProt

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KEGG
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 8.50E+3n/an/an/an/a20



CSIC



Assay Description
Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).


J Biol Chem 285: 23126-36 (2010)


Article DOI: 10.1074/jbc.M110.110403
BindingDB Entry DOI: 10.7270/Q2K64GNS
More data for this
Ligand-Target Pair
Methyl-accepting chemotaxis protein (McpS)


(Pseudomonas putida (Arthrobacter siderocapsulatus))
BDBM26122
PNG
((2E)-but-2-enedioic acid | Fumarate | fumarate, 10)
Show SMILES OC(=O)\C=C\C(O)=O
Show InChI InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
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Article
PubMed
n/an/an/a 1.70E+4n/an/an/an/a20



CSIC



Assay Description
Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).


J Biol Chem 285: 23126-36 (2010)


Article DOI: 10.1074/jbc.M110.110403
BindingDB Entry DOI: 10.7270/Q2K64GNS
More data for this
Ligand-Target Pair
Methyl-accepting chemotaxis protein (McpS)


(Pseudomonas putida (Arthrobacter siderocapsulatus))
BDBM23230
PNG
(2-Oxosuccinic acid | 2-oxobutanedioic acid | Oxalo...)
Show SMILES OC(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
KEGG

UniProtKB/SwissProt

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KEGG
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UniChem

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Article
PubMed
n/an/an/a 2.39E+4n/an/an/an/a20



CSIC



Assay Description
Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).


J Biol Chem 285: 23126-36 (2010)


Article DOI: 10.1074/jbc.M110.110403
BindingDB Entry DOI: 10.7270/Q2K64GNS
More data for this
Ligand-Target Pair
Methyl-accepting chemotaxis protein (McpS)


(Pseudomonas putida (Arthrobacter siderocapsulatus))
BDBM26121
PNG
(Substrate analogue, 11 | Succinate | Succinic acid...)
Show SMILES OC(=O)CCC(O)=O
Show InChI InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
KEGG

UniProtKB/SwissProt

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MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/a 8.20E+4n/an/an/an/a20



CSIC



Assay Description
Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).


J Biol Chem 285: 23126-36 (2010)


Article DOI: 10.1074/jbc.M110.110403
BindingDB Entry DOI: 10.7270/Q2K64GNS
More data for this
Ligand-Target Pair
Methyl-accepting chemotaxis protein (McpS)


(Pseudomonas putida (Arthrobacter siderocapsulatus))
BDBM26109
PNG
(Butyrate | butanoic acid | butanoic acid, 4)
Show SMILES CCCC(O)=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
KEGG

UniProtKB/SwissProt

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DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 9.20E+4n/an/an/an/a20



CSIC



Assay Description
Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).


J Biol Chem 285: 23126-36 (2010)


Article DOI: 10.1074/jbc.M110.110403
BindingDB Entry DOI: 10.7270/Q2K64GNS
More data for this
Ligand-Target Pair
Methyl-accepting chemotaxis protein (McpS)


(Pseudomonas putida (Arthrobacter siderocapsulatus))
BDBM92494
PNG
(Citrate | SODIUM CITRATE)
Show SMILES OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
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Article
PubMed
n/an/an/a 1.09E+5n/an/an/an/a20



CSIC



Assay Description
Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).


J Biol Chem 285: 23126-36 (2010)


Article DOI: 10.1074/jbc.M110.110403
BindingDB Entry DOI: 10.7270/Q2K64GNS
More data for this
Ligand-Target Pair
Methyl-accepting chemotaxis protein (McpS)


(Pseudomonas putida (Arthrobacter siderocapsulatus))
BDBM92496
PNG
(Isocitrate)
Show SMILES OC(C(CC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)
KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.37E+5n/an/an/an/a20



CSIC



Assay Description
Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).


J Biol Chem 285: 23126-36 (2010)


Article DOI: 10.1074/jbc.M110.110403
BindingDB Entry DOI: 10.7270/Q2K64GNS
More data for this
Ligand-Target Pair