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BDBM213229 1,3,4,6-Inositol tetrakisphosphate (1,3,4,6-IP4)

SMILES: O[C@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O

InChI Key: InChIKey=ZAWIXNGTTZTBKV-JMVOWJSSSA-F

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 = 213229   
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
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1)


(Arabidopsis thaliana (Mouse-ear cress))
BDBM213229
PNG
(1,3,4,6-Inositol tetrakisphosphate (1,3,4,6-IP4))
Show SMILES O[C@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O
Show InChI InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2+,3-,4+,5-,6+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.69E+4n/an/an/a7.525



McGill University



Assay Description
Experiments were performed on a MicroCal iTC200 titration calorimeter (GE Healthcare). Wild-type IPK1 was purified and dialyzed into ITC buffer conta...


J Biol Chem 288: 26908-13 (2013)


Article DOI: 10.1074/jbc.M113.487777
BindingDB Entry DOI: 10.7270/Q2QC02B7
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 213229
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1)

(Arabidopsis thaliana (Mouse-ear cress))
BDBM213229
JPEG
(1,3,4,6-Inositol tetrakisphosphate (1,3,4,6-IP4))
GoogleScholar
PDB
PC cid
PC sid
-6.232.49-8.724.577.525



McGill University





J Biol Chem 288: 26908-13 (2013)