SEQ2FUN

BioLiP

PDB CCD ID: C5J
Number of entries in BioLiP: 14
Chemical formula: C2 H5 N3 O2
InChI: InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)
InChIKey: OHJMTUPIZMNBFR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(=O)(N)NC(=O)N
CACTVS 3.385NC(=O)NC(N)=O
ACDLabs 12.01C(NC(N)=O)(=O)N
Name:dicarbonimidic diamide
ChEMBL: CHEMBL1889026
ZINC: ZINC000003875757
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).