ST5

4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where ST5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

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Chemical Component Summary
Name	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID
Systematic Name (OpenEye OEToolkits)	4-acetamido-3-(2-hydroxyethanoylamino)benzoic acid
Formula	C₁₁ H₁₂ N₂ O₅
Molecular Weight	252.223
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1cc(ccc1NC(=O)C)C(=O)O)CO
SMILES	CACTVS	3.341	CC(=O)Nc1ccc(cc1NC(=O)CO)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O
Canonical SMILES	CACTVS	3.341	CC(=O)Nc1ccc(cc1NC(=O)CO)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O
InChI	InChI	1.03	InChI=1S/C11H12N2O5/c1-6(15)12-8-3-2-7(11(17)18)4-9(8)13-10(16)5-14/h2-4,14H,5H2,1H3,(H,12,15)(H,13,16)(H,17,18)
InChIKey	InChI	1.03	CRHJDPGLFDNPOA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04565
Name	4-(Acetylamino)-3-[(Hydroxyacetyl)Amino]Benzoic Acid
Groups	experimental
Synonyms	4-(Acetylamino)-3-[(Hydroxyacetyl)Amino]Benzoic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Neuraminidase	MNPNQKIITIGSVSLTIATVCFLMQIAILVTTVTLHFKQHECDSPASNQV...	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