BindingDB PrimarySearch

BDBM50339906 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl(S)-2-amino-3-hydroxypropanoylsulfamate::5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE::CHEMBL1163070::SerSA

SMILES: N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=HQXFJGONGJPTLZ-YTMOPEAISA-N

Data: 1 KI 7 IC50 2 Kd

PDB links: 18 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50339906
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Serine--tRNA ligase (Escherichia coli (strain K12))	BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of Escherichia coli BL21(DE3) Seryl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichia...				Eur J Med Chem 148: 384-396 (2018) Article DOI: 10.1016/j.ejmech.2018.02.013 BindingDB Entry DOI: 10.7270/Q2057JJS
KU Leuven Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine--tRNA ligase (Escherichia coli (strain K12))	BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) using Ap4A as substrate in presence of serine by leuco...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine--tRNA ligase (Escherichia coli (strain K12))	BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as dissociation constant by isoth...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine--tRNA ligase (Escherichia coli (strain K12))	BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) using Ap4A as substrate in presence of serine by leuco...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine--tRNA ligase (Staphylococcus aureus (strain NCTC 8325 / PS 47))	BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of C-terminal His10-tagged Staphylococcus aureus seg50 SerRS expressed in Lemo21(DE3) using Ap4A as substrate in presence of serine by leu...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine--tRNA ligase (Escherichia coli (strain K12))	BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as dissociation constant by isoth...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis)	BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC				Bioorg Med Chem Lett 21: 2480-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.042 BindingDB Entry DOI: 10.7270/Q26Q1XKW
					More data for this Ligand-Target Pair
Serine--tRNA ligase (Staphylococcus aureus (strain NCTC 8325 / PS 47))	BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of C-terminal His10-tagged Staphylococcus aureus seg50 SerRS expressed in Lemo21(DE3) using Ap4A as substrate in presence of serine by leu...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)