BDBM181109 3-Mercaptopicolinic acid (MPA)

SMILES: OC(=O)c1ncccc1S

InChI Key: InChIKey=ZYFDNIOIEFZULT-UHFFFAOYSA-N

Data: 6 KI

PDB links: 3 PDB IDs match 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 6 hits for monomerid = 181109   

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
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK) (Rattus norvegicus (Rat))	BDBM181109 (3-Mercaptopicolinic acid (MPA)) Show SMILES OC(=O)c1ncccc1S Show InChI InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	3.70E+4	-6.04	n/a	n/a	n/a	n/a	n/a	n/a	25
The University of Kansas Medical Center					Assay Description OAA/PEP binding site. When the enzyme was assayed in the direction of PEP →OAA, the standard reaction mixture contained 50 mM HEPES (pH 7.5), 2...				Biochemistry 54: 5878-87 (2015) Article DOI: 10.1021/acs.biochem.5b00822 BindingDB Entry DOI: 10.7270/Q2M61J1Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK) (Rattus norvegicus (Rat))	BDBM181109 (3-Mercaptopicolinic acid (MPA)) Show SMILES OC(=O)c1ncccc1S Show InChI InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	4.50E+4	-5.93	n/a	n/a	n/a	n/a	n/a	n/a	25
The University of Kansas Medical Center					Assay Description OAA/PEP binding site. The activity of PEPCK in the direction from OAA to PEP was assayed with 50 mM HEPES (pH 7.5), 10 mM DTT, 4 mM MgCl2, 0.5 mM GTP...				Biochemistry 54: 5878-87 (2015) Article DOI: 10.1021/acs.biochem.5b00822 BindingDB Entry DOI: 10.7270/Q2M61J1Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK) (Rattus norvegicus (Rat))	BDBM181109 (3-Mercaptopicolinic acid (MPA)) Show SMILES OC(=O)c1ncccc1S Show InChI InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	8.30E+4	-5.56	n/a	n/a	n/a	n/a	n/a	n/a	25
The University of Kansas Medical Center					Assay Description Allosteric binding site. When the enzyme was assayed in the direction of PEP →OAA, the standard reaction mixture contained 50 mM HEPES (pH 7.5)...				Biochemistry 54: 5878-87 (2015) Article DOI: 10.1021/acs.biochem.5b00822 BindingDB Entry DOI: 10.7270/Q2M61J1Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK) (Rattus norvegicus (Rat))	BDBM181109 (3-Mercaptopicolinic acid (MPA)) Show SMILES OC(=O)c1ncccc1S Show InChI InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	8.30E+4	-5.56	n/a	n/a	n/a	n/a	n/a	n/a	25
The University of Kansas Medical Center					Assay Description OAA/PEP binding site. When the enzyme was assayed in the direction of PEP →OAA, the standard reaction mixture contained 50 mM HEPES (pH 7.5), 2...				Biochemistry 54: 5878-87 (2015) Article DOI: 10.1021/acs.biochem.5b00822 BindingDB Entry DOI: 10.7270/Q2M61J1Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK) (Rattus norvegicus (Rat))	BDBM181109 (3-Mercaptopicolinic acid (MPA)) Show SMILES OC(=O)c1ncccc1S Show InChI InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	1.21E+5	-5.34	n/a	n/a	n/a	n/a	n/a	n/a	25
The University of Kansas Medical Center					Assay Description Allosteric binding site. The activity of PEPCK in the direction from OAA to PEP was assayed with 50 mM HEPES (pH 7.5), 10 mM DTT, 4 mM MgCl2, 0.5 mM ...				Biochemistry 54: 5878-87 (2015) Article DOI: 10.1021/acs.biochem.5b00822 BindingDB Entry DOI: 10.7270/Q2M61J1Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK) (Rattus norvegicus (Rat))	BDBM181109 (3-Mercaptopicolinic acid (MPA)) Show SMILES OC(=O)c1ncccc1S Show InChI InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	1.80E+5	-5.11	n/a	n/a	n/a	n/a	n/a	n/a	25
The University of Kansas Medical Center					Assay Description Allosteric binding site. When the enzyme was assayed in the direction of PEP →OAA, the standard reaction mixture contained 50 mM HEPES (pH 7.5)...				Biochemistry 54: 5878-87 (2015) Article DOI: 10.1021/acs.biochem.5b00822 BindingDB Entry DOI: 10.7270/Q2M61J1Q
					More data for this Ligand-Target Pair				3D Structure (crystal)