SEQ2FUN

BioLiP

PDB CCD ID: GQ7
Number of entries in BioLiP: 3
Chemical formula: C11 H11 N O2
InChI: InChI=1S/C11H11NO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7,12H2
InChIKey: PGRYIWSQXZECGD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc(cc1)c2oc(CO)cc2
OpenEye OEToolkits 2.0.6c1cc(ccc1c2ccc(o2)CO)N
Name:[5-(4-aminophenyl)furan-2-yl]methanol
ZINC: ZINC000000188736
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).