BioLiP

PDB

BioLiP

PDB CCD ID:

NPS

Number of entries in BioLiP:

Chemical formula:

C14 H14 O3

InChI:

InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1

InChIKey:

CMWTZPSULFXXJA-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(c1ccc2cc(ccc2c1)OC)C(=O)O
CACTVS 3.341	COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O
ACDLabs 10.04	O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
OpenEye OEToolkits 1.5.0	C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O
CACTVS 3.341	COc1ccc2cc(ccc2c1)[CH](C)C(O)=O

Name:

(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;
NAPROXEN

ChEMBL:

CHEMBL154

DrugBank:

DB00788

ZINC:

ZINC000000105216

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).