SEQ2FUN

BioLiP

PDB CCD ID: W3P
Number of entries in BioLiP: 1
Chemical formula: C8 H6 N2
InChI: InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H
InChIKey: FLBAYUMRQUHISI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2cccnc2nc1
ACDLabs 12.01n1cccc2cccnc12
CACTVS 3.385c1cnc2ncccc2c1
Name:1,8-naphthyridine
ChEMBL: CHEMBL261758
ZINC: ZINC000002527922
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).