SEQ2FUN

BioLiP

PDB CCD ID: FUZ
Number of entries in BioLiP: 5
Chemical formula: C12 H11 N O3
InChI: InChI=1S/C12H11NO3/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h1-7,13H,8H2,(H,14,15)
InChIKey: CKOPWCOBXHDAOZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OC(=O)c1ccccc1NCc2occc2
ACDLabs 11.02O=C(O)c2c(NCc1occc1)cccc2
OpenEye OEToolkits 1.7.0c1ccc(c(c1)C(=O)O)NCc2ccco2
Name:2-[(furan-2-ylmethyl)amino]benzoic acid
ChEMBL: CHEMBL1492146
ZINC: ZINC000000113222
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).