SEQ2FUN

BioLiP

PDB CCD ID: A1ABE
Number of entries in BioLiP: 0
Chemical formula: C11 H8 O3
InChI: InChI=1S/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13)
InChIKey: RQVVFGRDMHDHNI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc(c1)c2occc2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)C(=O)O)c2ccco2
ACDLabs 12.01O=C(O)c1cccc(c1)c1ccco1
Name:(3M)-3-(furan-2-yl)benzoic acid
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).