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BDBM213239 CoA

SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS

InChI Key: InChIKey=RGJOEKWQDUBAIZ-IBOSZNHHSA-J

Data: 1 Kd  1 ITC

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 213239   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gcn5-related N-acetyltransferases (GNAT) superfamily protein PA4794 (PA4794)


(Pseudomonas aeruginosa)
BDBM213239
PNG
(CoA)
Show SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS
Show InChI InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/p-4/t11-,14-,15-,16+,20-/m1/s1
PDB

UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.90E+3n/an/an/a7.525



University of Virginia



Assay Description
Isothermal titration calorimetry (ITC) measurements were performed at 25 °C using an iTC200 calorimeter (MicroCal). Preparations of purified pr...


J Biol Chem 288: 30223-35 (2013)


Article DOI: 10.1074/jbc.M113.501353
BindingDB Entry DOI: 10.7270/Q22N514W
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 213239
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Gcn5-related N-acetyltransferases (GNAT) superfamily protein PA4794 (PA4794)

(Pseudomonas aeruginosa)
BDBM213239
JPEG
(CoA)
GoogleScholar
PDB
KEGG
PC cid
PC sid
-7.384.35-11.75.417.525



University of Virginia





J Biol Chem 288: 30223-35 (2013)