SEQ2FUN

BioLiP

PDB CCD ID: F63
Number of entries in BioLiP: 5
Chemical formula: C11 H12 N2 O2
InChI: InChI=1S/C11H12N2O2/c1-12-7-10-4-5-11(15-10)14-9-3-2-6-13-8-9/h2-6,8,12H,7H2,1H3
InChIKey: MUKCVLFJCGZPKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CNCc1ccc(o1)Oc2cccnc2
ACDLabs 12.01n2cc(Oc1oc(cc1)CNC)ccc2
CACTVS 3.370CNCc1oc(Oc2cccnc2)cc1
Name:N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine
ChEMBL: CHEMBL1921971
ZINC: ZINC000004277396
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).