SEQ2FUN

BioLiP

PDB CCD ID: D2G
Number of entries in BioLiP: 4
Chemical formula: C11 H12 N2 O
InChI: InChI=1S/C11H12N2O/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3
InChIKey: MDGMPFRIYUFRRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CNCc1ccc(o1)c2cccnc2
CACTVS 3.341CNCc1oc(cc1)c2cccnc2
ACDLabs 10.04n2cccc(c1oc(cc1)CNC)c2
Name:N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
ChEMBL: CHEMBL178938
DrugBank: DB07617
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).