SEQ2FUN

BioLiP

PDB CCD ID: A1AD3
Number of entries in BioLiP: 0
Chemical formula: C12 H10 N6 O
InChI: InChI=1S/C12H10N6O/c13-10-9(11(14)19)17-6-18(10)8-4-7-2-1-3-15-12(7)16-5-8/h1-6H,13H2,(H2,14,19)
InChIKey: XEVIHIZMGQWKDF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2cc(cnc2nc1)n3cnc(c3N)C(=O)N
ACDLabs 12.01
CACTVS 3.385		NC(=O)c1ncn(c2cnc3ncccc3c2)c1N
Name:(1M)-5-amino-1-(1,8-naphthyridin-3-yl)-1H-imidazole-4-carboxamide
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).