Ligand
Ligand Name:   3-mercaptopicolinic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB97 PubChem:   119070
Synonym(s):  
  •   14623-54-2
  • 3-sulfanylpyridine-2-carboxylic acid
  • 3-mercaptopyridine-2-carboxylic acid
  • unii-7xw1r5r974
  • 3-mercaptopicolinate
  • 7xw1r5r974
  • skf 34288
  • 3-mercapto-2-pyridinecarboxylic acid
  • sk&f 34288
  • 2-pyridinecarboxylic acid, 3-mercapto-
  • 1wd
  • schembl918811
  • 3-mercaptopicolinic acid (mpa)
  • chembl3247165
  • dtxsid90163330
  • bdbm181109
  • zinc2379148
  • akos006273680
  • db-082007
  • ft-0722260
  • 3-mercapto-2-pyridinecarboxylic acid hydrochloride
  • w-201292
  • q27268995
show 22 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3247165
Canonical SMILES:   OC(=O)c1ncccc1S
Standard InChI:   InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)
Molecular Formula:   C6H5NO2S Mol. Weight:   155.0041 logP:   1.0685
HBD:   2 HBA:   3
#Rotatable Bonds:   1 TPSA:   50.19

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] P07379 (PCKGC_RAT) Rattus norvegicus (Rat) 4YWB 1WD Ki : 121000 nM, Ki : 37000 nM, Ki : 45000 nM, Ki : 180000 nM, Ki : 83000 nM BindingDB SHOW