SEQ2FUN

BioLiP

PDB CCD ID: LXN
Number of entries in BioLiP: 2
Chemical formula: C4 H2 N2 O4
InChI: InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)
InChIKey: HIMXGTXNXJYFGB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1C(=O)NC(=O)NC1=O
CACTVS 3.352O=C1NC(=O)C(=O)C(=O)N1
OpenEye OEToolkits 1.6.1C1(=O)C(=O)NC(=O)NC1=O
Name:ALLOXAN;
MESOXALYLUREA
ChEMBL: CHEMBL1096009
ZINC: ZINC000001631379
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).