BioLiP

PDB

BioLiP

PDB CCD ID:

V1U

Number of entries in BioLiP:

Chemical formula:

C10 H12 O4

InChI:

InChI=1S/C10H12O4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5H,6-7H2,1H3,(H,11,12)

InChIKey:

LRIXKEQGKQFQAO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COCCOc1ccccc1C(=O)O
CACTVS 3.385	COCCOc1ccccc1C(O)=O
ACDLabs 12.01	O=C(O)c1ccccc1OCCOC

Name:

2-(2-methoxyethoxy)benzoic acid

ZINC:

ZINC000012403760

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).