SEQ2FUN

BioLiP

PDB CCD ID: 28Y
Number of entries in BioLiP: 3
Chemical formula: C7 H5 N5 O
InChI: InChI=1S/C7H5N5O/c13-6-4-5(10-3-9-4)12-2-1-8-7(12)11-6/h1-3H,(H,9,10)(H,8,11,13)
InChIKey: OSXKHFTZRHDUJN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C3c1c(ncn1)n2c(ncc2)N3
CACTVS 3.385O=C1Nc2nccn2c3nc[nH]c13
OpenEye OEToolkits 1.7.6c1cn-2c(n1)NC(=O)c3c2nc[nH]3
Name:3H-imidazo[2,1-b]purin-4(5H)-one;
N2,3-ethenoguanine
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).