PMS

phenylmethanesulfonic acid

Created:	2009-08-24
Last modified:	2024-09-27

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8 entries where PMS is found as a standalone ligand30 entries where PMS is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

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Chemical Component Summary
Name	phenylmethanesulfonic acid
Systematic Name (OpenEye OEToolkits)	phenylmethanesulfonic acid
Formula	C₇ H₈ O₃ S
Molecular Weight	172.202
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=S(=O)(O)Cc1ccccc1
SMILES	CACTVS	3.352	O[S](=O)(=O)Cc1ccccc1
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)CS(=O)(=O)O
Canonical SMILES	CACTVS	3.352	O[S](=O)(=O)Cc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)CS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)
InChIKey	InChI	1.03	NIXKBAZVOQAHGC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03297
Name	Benzylsulfonic acid
Groups	experimental
Synonyms	alpha-Toluenesulfonic acid Benzylsulfinic acid Toluene-alpha-sulphonic acid Benzenemethanesulfonic acid Benzylsulfonic acid Phenylmethanesulfonic acid
Categories	Alkanes Alkanesulfonates Alkanesulfonic Acids Hydrocarbons, Acyclic Sulfonic Acids Sulfur Acids Sulfur Compounds
CAS number	100-87-8

Drug Targets

Name	Target Sequence	Pharmacological Action
Chymase	MLLLPLPLLLFLLCSRAEAGEIIGGTECKPHSRPYMAYLEIVTSNGPSKF...	unknown
Subtilisin BPN'	MRGKKVWISLLFALALIFTMAFGSTSSAQAAGKSNGEKKYIVGFKQTMST...	unknown
Sigma factor SigB regulation protein RsbQ	MNEAILSRNHVKVKGSGKASIMFAPGFGCDQSVWNAVAPAFEEDHRVILF...	unknown
Superoxide dismutase [Mn], mitochondrial	MLSRAVCGTSRQLAPALGYLGSRQKHSLPDLPYDYGALEPHINAQIMQLH...	unknown
Serine protease hepsin	MAQKEGGRTVPCCSRPKVAALTAGTLLLLTAIGAASWAIVAVLLRSDQEP...	unknown
Extracellular subtilisin-like serine proteinase	MLKKVLSCCIAATFGIYSASSLAQSSVINSTENSQQPIAPLVLASSDDAI...	unknown
Carboxylesterase 2	MTEPLILQPAKPADACVIWLHGLGADRYDFMPVAEALQESLLTTRFVLPQ...	unknown
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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