ST3

4-(ACETYLAMINO)-3-AMINO BENZOIC ACID

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

Find Related PDB Entry
1 entries where ST3 is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID
Systematic Name (OpenEye OEToolkits)	4-acetamido-3-amino-benzoic acid
Formula	C₉ H₁₀ N₂ O₃
Molecular Weight	194.187
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1cc(N)c(NC(=O)C)cc1
SMILES	CACTVS	3.341	CC(=O)Nc1ccc(cc1N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)Nc1ccc(cc1N)C(=O)O
Canonical SMILES	CACTVS	3.341	CC(=O)Nc1ccc(cc1N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)Nc1ccc(cc1N)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H10N2O3/c1-5(12)11-8-3-2-6(9(13)14)4-7(8)10/h2-4H,10H2,1H3,(H,11,12)(H,13,14)
InChIKey	InChI	1.03	MJMLUICFHWSBQZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02268
Name	4-(Acetylamino)-3-Amino Benzoic Acid
Groups	experimental
Synonyms	4-(Acetylamino)-3-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