SEQ2FUN

BioLiP

PDB CCD ID: A1AJR
Number of entries in BioLiP: 6
Chemical formula: C8 H10 N2
InChI: InChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,5,10H,2,4,6H2
InChIKey: OALXTMWCXNPUKJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1CNc2cccnc2C1
OpenEye OEToolkits 2.0.7c1cc2c(nc1)CCCN2
ACDLabs 12.01c1ccnc2CCCNc12
Name:1,2,3,4-tetrahydro-1,5-naphthyridine
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).