BioLiP

PDB

BioLiP

PDB CCD ID:

BOX

Number of entries in BioLiP:

Chemical formula:

C7 H6 O2

InChI:

InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/f/h8H

InChIKey:

WPYMKLBDIGXBTP-FZOZFQFYCI

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)c1ccccc1
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(=O)O
CACTVS 3.341	OC(=O)c1ccccc1

Name:

BENZOIC 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).