PYS

2-PYRIDINETHIOL

Created:	1999-07-08
Last modified:	2024-09-27

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2 entries where PYS is found as a standalone ligand2 entries where PYS is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-PYRIDINETHIOL
Systematic Name (OpenEye OEToolkits)	pyridine-2-thiol
Formula	C₅ H₅ N S
Molecular Weight	111.165
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Sc1ncccc1
SMILES	CACTVS	3.341	Sc1ccccn1
SMILES	OpenEye OEToolkits	1.5.0	c1ccnc(c1)S
Canonical SMILES	CACTVS	3.341	Sc1ccccn1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccnc(c1)S
InChI	InChI	1.03	InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKey	InChI	1.03	WHMDPDGBKYUEMW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03329
Name	2-Pyridinethiol
Groups	experimental
Synonyms	2-Mercaptopyridine Pyridine-2-thiol 2-Pyridinethiol
Categories	Sulfur Compounds
CAS number	73018-10-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cathepsin B	MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNV...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682