SEQ2FUN

BioLiP

PDB CCD ID: MOG
Number of entries in BioLiP: 1
Chemical formula: C6 H6 N4 O2
InChI: InChI=1S/C6H6N4O2/c1-2-8-3-4(11)9-6(7)10-5(3)12-2/h1H3,(H3,7,9,10,11)
InChIKey: NEKSCFHMQPOHBF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1oc2N=C(N)NC(=O)c2n1
OpenEye OEToolkits 1.5.0Cc1nc2c(o1)N=C(NC2=O)N
ACDLabs 10.04O=C2NC(=Nc1oc(nc12)C)N
Name:5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PYRIMIDIN-7-ONE;
8-METHYL-9-OXOGUANINE
ChEMBL: CHEMBL175367
DrugBank: DB02993
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).