SEQ2FUN

BioLiP

PDB CCD ID: BZ2
Number of entries in BioLiP: 9
Chemical formula: C9 H6 O3
InChI: InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChIKey: OFFSPAZVIVZPHU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OC(=O)c1oc2ccccc2c1
ACDLabs 11.02O=C(O)c2oc1ccccc1c2
OpenEye OEToolkits 1.7.0c1ccc2c(c1)cc(o2)C(=O)O
Name:1-benzofuran-2-carboxylic acid
ChEMBL: CHEMBL84095
ZINC: ZINC000000053963
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).