SEQ2FUN

BioLiP

PDB CCD ID: PD6
Number of entries in BioLiP: 1
Chemical formula: C18 H19 N3 O
InChI: InChI=1S/C18H19N3O/c1-2-3-10-21-11-9-16(22)17-15(21)12-14(20-18(17)19)13-7-5-4-6-8-13/h4-9,11-12H,2-3,10H2,1H3,(H2,19,20)
InChIKey: RLCFNIHFDBMYES-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCN1C=CC(=O)c2c(N)nc(cc12)c3ccccc3
OpenEye OEToolkits 1.7.5CCCCN1C=CC(=O)c2c1cc(nc2N)c3ccccc3
Name:5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one
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).