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BioLiP

PDB CCD ID: 9U1
Number of entries in BioLiP: 2
Chemical formula: C2 H6 N4 O
InChI: InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
InChIKey: SQSPRWMERUQXNE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(=NC(=O)N)(N)N
CACTVS 3.385NC(N)=NC(N)=O
ACDLabs 12.01N\C(N)=N/C(N)=O
Name:N-(diaminomethylidene)urea
ZINC: ZINC000003875935
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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