BioLiP

PDB

BioLiP

PDB CCD ID:

WLB

Number of entries in BioLiP:

Chemical formula:

C21 H18 O4

InChI:

InChI=1S/C21H18O4/c22-21(23)18-12-7-13-19(24-14-16-8-3-1-4-9-16)20(18)25-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23)

InChIKey:

GYEYPHBTKAEWHH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COc2cccc(c2OCc3ccccc3)C(=O)O
CACTVS 3.385	OC(=O)c1cccc(OCc2ccccc2)c1OCc3ccccc3
ACDLabs 12.01	O=C(O)c1cccc(OCc2ccccc2)c1OCc1ccccc1

Name:

2,3-bis(benzyloxy)benzoic acid

ZINC:

ZINC000013481423

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).