BioLiP

PDB

BioLiP

PDB CCD ID:

ENY

Number of entries in BioLiP:

Chemical formula:

C15 H12 O5

InChI:

InChI=1S/C15H12O5/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)13(16)8-14(17)15(18)19/h2-8,17H,1H3,(H,18,19)/b14-8-

InChIKey:

GXCSYGHKRWPUNE-ZSOIEALJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1ccc2cc(ccc2c1)C(=O)C=C(C(=O)O)O
CACTVS 3.385	COc1ccc2cc(ccc2c1)C(=O)C=C(O)C(O)=O
OpenEye OEToolkits 2.0.6	COc1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O
CACTVS 3.385	COc1ccc2cc(ccc2c1)C(=O)/C=C(O)/C(O)=O
ACDLabs 12.01	c1(C(/C=C(/C(O)=O)O)=O)ccc2cc(ccc2c1)OC

Name:

(2Z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid

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).