SEQ2FUN

BioLiP

PDB CCD ID: A1AYY
Number of entries in BioLiP: 2
Chemical formula: C10 H14 N2 O
InChI: InChI=1S/C10H14N2O/c13-8-9-4-3-5-10(11-9)12-6-1-2-7-12/h3-5,13H,1-2,6-8H2
InChIKey: INCLVFBQYYTJLC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(nc(c1)N2CCCC2)CO
ACDLabs 12.01OCc1cccc(n1)N1CCCC1
CACTVS 3.385OCc1cccc(n1)N2CCCC2
Name:[6-(pyrrolidin-1-yl)pyridin-2-yl]methanol
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).