ALN

NAPHTHALEN-2-YL-3-ALANINE

Created:	1999-07-08
Last modified:	2024-09-27

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1 entries where ALN is found as a standalone ligand14 entries where ALN is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	11

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Chemical Component Summary
Name	NAPHTHALEN-2-YL-3-ALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-naphthalen-1-yl-propanoic acid
Formula	C₁₃ H₁₃ N O₂
Molecular Weight	215.248
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc2cccc1ccccc12
SMILES	CACTVS	3.341	N[CH](Cc1cccc2ccccc12)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cccc2CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1cccc2ccccc12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cccc2C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
InChIKey	InChI	1.03	OFYAYGJCPXRNBL-LBPRGKRZSA-N

Drug Info: DrugBank

DrugBank ID	DB07365
Name	1-Naphthyl-L-alanine
Groups	experimental
Synonyms	Naphthalen-2-yl-3-alanine (S)-2-Amino-3-(naphthalen-1-yl)propanoic acid L-beta-(1-Naphthyl)alanine 1-Naphthyl-L-alanine
CAS number	55516-54-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Periplasmic oligopeptide-binding protein	MSNITKKSLIAAGILTALIAASAATAADVPAGVQLADKQTLVRNNGSEVQ...	unknown
Pol polyprotein	KEFGKLEGGASCSPSESNAASSNAICTSNGGETIGFVNYNKVGTTTTLEK...	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