NAL

BETA-(2-NAPHTHYL)-ALANINE

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

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1 entries where NAL is found as a standalone ligand1 entries where NAL is covalently linked to polymer or other heterogen groups 15 entries where NAL 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	BETA-(2-NAPHTHYL)-ALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-3-naphthalen-2-yl-propanoic acid
Formula	C₁₃ H₁₃ N O₂
Molecular Weight	215.248
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)Cc2ccc1c(cccc1)c2
SMILES	CACTVS	3.370	N[CH](Cc1ccc2ccccc2c1)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2cc(ccc2c1)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.370	N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
InChIKey	InChI	1.03	JPZXHKDZASGCLU-LBPRGKRZSA-N

Drug Info: DrugBank

DrugBank ID	DB01766
Name	Beta-(2-Naphthyl)-Alanine
Groups	experimental
Synonyms	Beta-(2-Naphthyl)-Alanine

Drug Targets

Name	Target Sequence	Pharmacological Action
Tyrosine--tRNA ligase, cytoplasmic	MGDAPSPEEKLHLITRNLQEVLGEEKLKEILKERELKIYWGTATTGKPHV...	unknown
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQG...	unknown
Prothrombin	MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEE...	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