SEQ2FUN

BioLiP

PDB CCD ID: ANG
Number of entries in BioLiP: 2
Chemical formula: C5 H6 N6 O
InChI: InChI=1S/C5H6N6O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H6,6,7,8,9,10,11,12)
InChIKey: WYDKPTZGVLTYPG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=Nc2[nH]c(N)nc2C(=O)N1
ACDLabs 10.04O=C1c2nc(nc2N=C(N1)N)N
OpenEye OEToolkits 1.5.0c12c([nH]c(n1)N)N=C(NC2=O)N
Name:8-AMINOGUANINE
ChEMBL: CHEMBL8040
ZINC: ZINC000013514984
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).