BioLiP

PDB

BioLiP

PDB CCD ID:

NPQ

Number of entries in BioLiP:

Chemical formula:

C15 H15 N O3

InChI:

InChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1

InChIKey:

HGTIILKZSFKZMS-AWEZNQCLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O
OpenEye OEToolkits 1.7.6	CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O
CACTVS 3.385	CC(=O)N[CH](Cc1ccc2ccccc2c1)C(O)=O
CACTVS 3.385	CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O

Name:

N-acetyl naphthylalanine

ZINC:

ZINC000000128209

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).