SEQ2FUN

BioLiP

PDB CCD ID: E5X
Number of entries in BioLiP: 2
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey: WWYFPDXEIFBNKE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1ccc(cc1)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(ccc1CO)C(=O)O
Name:4-(hydroxymethyl)benzoic acid
ChEMBL: CHEMBL4636837
ZINC: ZINC000000135484
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).