SEQ2FUN

BioLiP

PDB CCD ID: X1M
Number of entries in BioLiP: 1
Chemical formula: C8 H12 N2 O
InChI: InChI=1S/C8H12N2O/c1-9-6-7-4-3-5-8(10-7)11-2/h3-5,9H,6H2,1-2H3
InChIKey: ZCDSYDMWOVSOBD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(nc(OC)ccc1)CNC
CACTVS 3.385CNCc1cccc(OC)n1
OpenEye OEToolkits 2.0.7CNCc1cccc(n1)OC
Name:1-(6-methoxypyridin-2-yl)-N-methylmethanamine
ChEMBL: CHEMBL4558231
ZINC: ZINC000051523626
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).