SEQ2FUN

BioLiP

PDB CCD ID: SZ9
Number of entries in BioLiP: 1
Chemical formula: C7 H11 N O
InChI: InChI=1S/C7H11NO/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3
InChIKey: AGQXLVABIKZJJG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1oc(C)c(CN)c1
OpenEye OEToolkits 1.7.2Cc1cc(c(o1)C)CN
ACDLabs 12.01o1c(cc(c1C)CN)C
Name:1-(2,5-dimethylfuran-3-yl)methanamine
ChEMBL: CHEMBL4554784
ZINC: ZINC000000158519
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).