BioLiP

PDB

BioLiP

PDB CCD ID:

RXH

Number of entries in BioLiP:

Chemical formula:

C15 H16 O3

InChI:

InChI=1S/C15H16O3/c1-10(15(16)18-3)11-4-5-13-9-14(17-2)7-6-12(13)8-11/h4-10H,1-3H3/t10-/m0/s1

InChIKey:

ZFYFBPCRUQZGJE-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(c1ccc2cc(ccc2c1)OC)C(=O)OC
CACTVS 3.385	COC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
CACTVS 3.385	COC(=O)[CH](C)c1ccc2cc(OC)ccc2c1
OpenEye OEToolkits 2.0.7	C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)OC

Name:

Naproxen Methyl Ester;
Methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate;
(S)-Methyl 2-(6-methoxynaphthalen-2-yl)propanoate;
(S)-Naproxen Methyl Ester;
methyl-naproxen;

ChEMBL:

CHEMBL1823699

ZINC:

ZINC000021986245

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).