SEQ2FUN

BioLiP

PDB CCD ID: GRE
Number of entries in BioLiP: 7
Chemical formula: C7 H6 O4
InChI: InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)
InChIKey: AKEUNCKRJATALU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)c1c(O)cccc1O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)C(=O)O)O
CACTVS 3.341OC(=O)c1c(O)cccc1O
Name:2,6-DIHYDROXYBENZOIC ACID
ChEMBL: CHEMBL454808
ZINC: ZINC000000388545
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).