AES

4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE

Created:	2005-09-27
Last modified:	2024-09-27

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18 entries where AES is found as a standalone ligand7 entries where AES is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

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Chemical Component Summary
Name	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE
Synonyms	AEBSF
Systematic Name (OpenEye OEToolkits)	4-(2-azanylethyl)benzenesulfonyl fluoride
Formula	C₈ H₁₀ F N O₂ S
Molecular Weight	203.234
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(F)(=O)c1ccc(cc1)CCN
SMILES	CACTVS	3.370	NCCc1ccc(cc1)[S](F)(=O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1CCN)S(=O)(=O)F
Canonical SMILES	CACTVS	3.370	NCCc1ccc(cc1)[S](F)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1CCN)S(=O)(=O)F
InChI	InChI	1.03	InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey	InChI	1.03	MGSKVZWGBWPBTF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07347
Name	4-(2-Aminoethyl)Benzenesulfonyl Fluoride
Groups	experimental
Synonyms	4-(2-Aminoethyl)Benzenesulfonyl Fluoride
Categories	Enzyme Inhibitors Sulfur Compounds
CAS number	34284-75-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glyceraldehyde-3-phosphate dehydrogenase	MGKVKVGVNGFGRIGRLVTRAAFNSGKVDIVAINDPFIDLNYMVYMFQYD...	unknown
V-type proton ATPase subunit B, brain isoform	MALRAMRGIVNGAAPELPVPTGGPAVGAREQALAVSRNYLSQPRLTYKTV...	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