SEQ2FUN

BioLiP

PDB CCD ID: F44
Number of entries in BioLiP: 1
Chemical formula: C13 H14 N2
InChI: InChI=1S/C13H14N2/c1-3-10-14-12(6-1)8-5-9-13-7-2-4-11-15-13/h1-4,6-7,10-11H,5,8-9H2
InChIKey: UHPWYBATPHCMGD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cccnc1CCCc2ccccn2
OpenEye OEToolkits 2.0.6c1ccnc(c1)CCCc2ccccn2
CACTVS 3.385C(Cc1ccccn1)Cc2ccccn2
Name:2,2'-(propane-1,3-diyl)dipyridine
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).