BDBM213231 3,4,5,6-Inositol tetrakisphosphate (3,4,5,6-IP4)

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

InChI Key: InChIKey=MRVYFOANPDTYBY-UZAAGFTCSA-F

Data: 1 Kd  1 ITC

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 213231   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) (Arabidopsis thaliana (Mouse-ear cress))	BDBM213231 (3,4,5,6-Inositol tetrakisphosphate (3,4,5,6-IP4)) Show SMILES O[C@H]1[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O Show InChI InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/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+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.52E+3	n/a	n/a	n/a	7.5	25
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 = 213231

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) (Arabidopsis thaliana (Mouse-ear cress))	BDBM213231 (3,4,5,6-Inositol tetrakisphosphate (3,4,5,6-IP4))	GoogleScholar PDB	KEGG PC cid PC sid		-6.97	11.3	-18.3	5.11	7.5	25
McGill University					J Biol Chem 288: 26908-13 (2013)