SEQ2FUN

BioLiP

PDB CCD ID: 0A7
Number of entries in BioLiP: 0
Chemical formula: C9 H8 O4
InChI: InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKey: ZHQLTKAVLJKSKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)CC(=O)O)C(=O)O
CACTVS 3.341OC(=O)Cc1ccccc1C(O)=O
ACDLabs 10.04O=C(O)Cc1ccccc1C(=O)O
Name:2-(carboxymethyl)benzoic acid
ChEMBL: CHEMBL1229545
ZINC: ZINC000000265888
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).