LLG

2-aminoethyl naphthalen-1-ylacetate

Created:	2007-11-26
Last modified:	2011-06-04

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1 entries where LLG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	11

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Chemical Component Summary
Name	2-aminoethyl naphthalen-1-ylacetate
Systematic Name (OpenEye OEToolkits)	2-aminoethyl 2-naphthalen-1-ylethanoate
Formula	C₁₄ H₁₅ N O₂
Molecular Weight	229.274
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCCN)Cc2cccc1ccccc12
SMILES	CACTVS	3.341	NCCOC(=O)Cc1cccc2ccccc12
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cccc2CC(=O)OCCN
Canonical SMILES	CACTVS	3.341	NCCOC(=O)Cc1cccc2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cccc2CC(=O)OCCN
InChI	InChI	1.03	InChI=1S/C14H15NO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2
InChIKey	InChI	1.03	PDCSQCHNOPNJMK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08115
Name	2-aminoethyl naphthalen-1-ylacetate
Groups	experimental
Synonyms	2-aminoethyl naphthalen-1-ylacetate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Gag-Pol polyprotein	MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...	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