ST4

4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID

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

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1 entries where ST4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	6

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Chemical Component Summary
Name	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID
Systematic Name (OpenEye OEToolkits)	4-acetamido-3-(diaminomethylamino)benzoic acid
Formula	C₁₀ H₁₄ N₄ O₃
Molecular Weight	238.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1cc(NC(N)N)c(cc1)NC(=O)C
SMILES	CACTVS	3.341	CC(=O)Nc1ccc(cc1NC(N)N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O
Canonical SMILES	CACTVS	3.341	CC(=O)Nc1ccc(cc1NC(N)N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H14N4O3/c1-5(15)13-7-3-2-6(9(16)17)4-8(7)14-10(11)12/h2-4,10,14H,11-12H2,1H3,(H,13,15)(H,16,17)
InChIKey	InChI	1.03	HIXHCUDMJUERSJ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03342
Name	4-(Acetylamino)-3-Guanidinobenzoic Acid
Groups	experimental
Synonyms	4-(Acetylamino)-3-Guanidinobenzoic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Neuraminidase	MLPSTVQTLTLLLTSGGVLLSLYVSASLSYLLYSDVLLKFSSTKTTAPTM...	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