SEQ2FUN

BioLiP

PDB CCD ID: B21
Number of entries in BioLiP: 2
Chemical formula: C12 H10 O4
InChI: InChI=1S/C12H10O4/c1-15-9-5-3-2-4-8(9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey: CHWVDGYLKPLBES-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1ccccc1c2oc(cc2)C(O)=O
OpenEye OEToolkits 1.5.0COc1ccccc1c2ccc(o2)C(=O)O
ACDLabs 10.04O=C(O)c2oc(c1c(OC)cccc1)cc2
Name:5-(2-METHOXYPHENYL)-2-FUROIC ACID
ChEMBL: CHEMBL372832
DrugBank: DB07407
ZINC: ZINC000000265874
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).