SEQ2FUN

BioLiP

PDB CCD ID: OVV
Number of entries in BioLiP: 3
Chemical formula: C8 H8 O2
InChI: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey: GPSDUZXPYCFOSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cccc(c1)C(=O)O
ACDLabs 12.01
CACTVS 3.385		Cc1cccc(c1)C(O)=O
Name:3-methylbenzoic acid
ChEMBL: CHEMBL67450
ZINC: ZINC000000330142
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).