BDBM18134 ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}amino)phosphonic acid::5-Adenylyl imidodiphosphate::AMP.P[NH]P::AMPPNP

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=PVKSNHVPLWYQGJ-KQYNXXCUSA-N

Data: 4 KI  2 IC50  10 ITC

PDB links: 960 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 5 hits for monomerid = 18134   

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
tRNA synthetase (GlyRS) (Bombyx mori)	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.00E+4	-6.41	1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Medical College of Ohio					Assay Description Aminoacyl-tRNA synthetase assays were measuring the incorporation of [14C] amino acid into tRNA.				Biochemistry 42: 5333-40 (2003) Article DOI: 10.1021/bi030031h BindingDB Entry DOI: 10.7270/Q2HQ3X6H
					More data for this Ligand-Target Pair
Glycerol kinase (Homo sapiens (Human))	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity against glycerol kinase (ATP competitive inhibition)				Bioorg Med Chem Lett 7: 2613-2616 (1997) Article DOI: 10.1016/S0960-894X(97)10051-8 BindingDB Entry DOI: 10.7270/Q2GF0V0S
					More data for this Ligand-Target Pair
Sensor protein kinase WalK (Staphylococcus aureus)	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae VicK autophosphorylation using compound at non-aggregating concentration after 30 mins in presence of [gamma-3...				Bioorg Med Chem 26: 5322-5326 (2018) Article DOI: 10.1016/j.bmc.2018.04.047 BindingDB Entry DOI: 10.7270/Q2R2143H
					More data for this Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2) (Rattus norvegicus)	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat Methionine adenosyltransferase was reported				J Med Chem 29: 318-22 (1986) BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthetase (MAT 1 and MAT 2) (Rattus norvegicus)	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II				J Med Chem 29: 318-22 (1986) BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 10 hits for monomerid = 18134

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
tRNA synthetase (GlyRS) (Bombyx mori)	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)	GoogleScholar	CHEBI KEGG MMDB PC cid PC sid PDB		-7.57	9.29	-16.2	5.57	7.20	24.9
Medical College of Ohio					Biochemistry 42: 5333-40 (2003)
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae (Baker s yeast))	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)	GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-5.61	3.56	-9.17	4.36	8	8
University College London					J Mol Biol 392: 923-36 (2009)
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae (Baker s yeast))	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)	GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-5.57	3.10	-8.67	4.28	8	10
University College London					J Mol Biol 392: 923-36 (2009)
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae (Baker s yeast))	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)	GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-5.45	3.13	-8.57	4.11	8	15
University College London					J Mol Biol 392: 923-36 (2009)
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae (Baker s yeast))	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)	GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-5.40	2.77	-8.17	4.04	8	20
University College London					J Mol Biol 392: 923-36 (2009)
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae (Baker s yeast))	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)	GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-5.59	3.42	-9.02	4.34	8	8
University College London					J Mol Biol 392: 923-36 (2009)
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae (Baker s yeast))	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)	GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-5.56	2.97	-8.52	4.26	8	12
University College London					J Mol Biol 392: 923-36 (2009)
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae (Baker s yeast))	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)	GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-5.47	2.72	-8.20	4.15	8	16
University College London					J Mol Biol 392: 923-36 (2009)
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae (Baker s yeast))	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)	GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-5.48	2.33	-7.81	3.93	8	25
University College London					J Mol Biol 392: 923-36 (2009)
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae (Baker s yeast))	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)	GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-5.30	2.68	-7.98	3.89	8	25
University College London					J Mol Biol 392: 923-36 (2009)