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BioLiP

PDB CCD ID: NMU
Number of entries in BioLiP: 2
Chemical formula: C2 H6 N2 O
InChI: InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
InChIKey: XGEGHDBEHXKFPX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CNC(=O)N
ACDLabs 10.04O=C(N)NC
CACTVS 3.341CNC(N)=O
Name:N-METHYLUREA
ZINC: ZINC000005209166
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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