M28

3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID

Created:	2006-10-27
Last modified:	2020-06-05

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2 entries where M28 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

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Chemical Component Summary
Name	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID
Synonyms	P-CARBOXYETHYLBENZENESULFONAMIDE
Systematic Name (OpenEye OEToolkits)	3-(4-sulfamoylphenyl)propanoic acid
Formula	C₉ H₁₁ N O₄ S
Molecular Weight	229.253
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(c1ccc(cc1)CCC(=O)O)N
SMILES	CACTVS	3.341	N[S](=O)(=O)c1ccc(CCC(O)=O)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CCC(=O)O)S(=O)(=O)N
Canonical SMILES	CACTVS	3.341	N[S](=O)(=O)c1ccc(CCC(O)=O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CCC(=O)O)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
InChIKey	InChI	1.03	JUEONDBIBADVGD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08156
Name	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID
Groups	experimental
Synonyms	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Carbonic anhydrase 1	MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISV...	unknown
Carbonic anhydrase 2	MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVS...	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