SEQ2FUN

BioLiP

PDB CCD ID: DHB
Number of entries in BioLiP: 4
Chemical formula: C7 H6 O4
InChI: InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
InChIKey: YQUVCSBJEUQKSH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1ccc(O)c(O)c1
ACDLabs 10.04O=C(O)c1cc(O)c(O)cc1
OpenEye OEToolkits 1.5.0c1cc(c(cc1C(=O)O)O)O
Name:3,4-DIHYDROXYBENZOIC ACID
ChEMBL: CHEMBL37537
DrugBank: DB03946
ZINC: ZINC000000013246
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).