2AN

8-ANILINO-1-NAPHTHALENE SULFONATE

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

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23 entries where 2AN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	17

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Chemical Component Summary
Name	8-ANILINO-1-NAPHTHALENE SULFONATE
Systematic Name (OpenEye OEToolkits)	8-phenylazanylnaphthalene-1-sulfonic acid
Formula	C₁₆ H₁₃ N O₃ S
Molecular Weight	299.344
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(O)c3cccc2cccc(Nc1ccccc1)c23
SMILES	CACTVS	3.370	O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
Canonical SMILES	CACTVS	3.370	O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
InChIKey	InChI	1.03	FWEOQOXTVHGIFQ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04474
Name	8-anilinonaphthalene-1-sulfonic acid
Groups	experimental
Synonyms	8-anilinonaphthalene-1-sulphonic acid 8-anilinonaphthalene-1-sulfonic acid 1-anilino-8-naphthalenesulfonic acid 1-(phenylamino)-8-naphthalenesulfonic acid 1-Anilino-8-naphthalenesulfonate 8-Anilino-1-naphthalene sulfonic acid
Categories	Amines Aniline Compounds Arylsulfonates Arylsulfonic Acids Coloring Agents Compounds used in a research, industrial, or household setting Fluorescent Dyes Indicators and Reagents Laboratory Chemicals Luminescent Agents Naphthalenes Naphthalenesulfonates Sulfonic Acids Sulfur Acids Sulfur Compounds
CAS number	82-76-8

Drug Targets

Name	Target Sequence	Pharmacological Action
Protein S100-A7	MSNTQAERSIIGMIDMFHKYTRRDDKIEKPSLLTMMKENFPNFLSACDKK...	unknown
UDP-N-acetylglucosamine 1-carboxyvinyltransferase	MDKFRVQGPTRLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDI...	unknown
Fatty acid-binding protein, adipocyte	MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVI...	unknown
Transthyretin	MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAV...	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