SEQ2FUN

BioLiP

PDB CCD ID: URN
Number of entries in BioLiP: 7
Chemical formula: C4 H6 N4 O2
InChI: InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)
InChIKey: BBTNLADSUVOPPN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1NC(N)=C(N)C(=O)N1
CACTVS 3.341NC1=C(N)C(=O)NC(=O)N1
OpenEye OEToolkits 1.5.0C1(=C(NC(=O)NC1=O)N)N
Name:5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIONE;
5,6-DIAMINOURACIL
ChEMBL: CHEMBL34076
DrugBank: DB03826
ZINC: ZINC000001666585
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).