SEQ2FUN

BioLiP

PDB CCD ID: A1BFL
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O
InChI: InChI=1S/C10H14N2O/c1-2-10(13-7-1)8-12-9-3-5-11-6-4-9/h3-6,10H,1-2,7-8H2,(H,11,12)
InChIKey: CRFFHQRTZREWOJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cnccc1NCC2CCCO2
CACTVS 3.385C1CO[CH](C1)CNc2ccncc2
ACDLabs 14.52c1cnccc1NCC1CCCO1
OpenEye OEToolkits 3.1.0.0c1cnccc1NC[C@H]2CCCO2
CACTVS 3.385C1CO[C@H](C1)CNc2ccncc2
Name:N-{[(2R)-oxolan-2-yl]methyl}pyridin-4-amine
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).