SEQ2FUN

BioLiP

PDB CCD ID: 54G
Number of entries in BioLiP: 8
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey: DLGBEGBHXSAQOC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cc(c(cc1C)C(O)=O)O
OpenEye OEToolkits 1.9.2Cc1ccc(c(c1)C(=O)O)O
CACTVS 3.385Cc1ccc(O)c(c1)C(O)=O
Name:2-hydroxy-5-methylbenzoic acid
ChEMBL: CHEMBL1161012
ZINC: ZINC000000388280
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).