SEQ2FUN

BioLiP

PDB CCD ID: AN4
Number of entries in BioLiP: 7
Chemical formula: C10 H12 N2
InChI: InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2
InChIKey: AUBPMADJYNSPOA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1cc(cnc1)C2=NCCCC2
CACTVS 3.352C1CCC(=NC1)c2cccnc2
ACDLabs 10.04n2cc(C1=NCCCC1)ccc2
Name:3,4,5,6-tetrahydro-2,3'-bipyridine;
anabaseine
ChEMBL: CHEMBL1230982
ZINC: ZINC000014722833
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).