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BioLiP

PDB CCD ID: WUJ
Number of entries in BioLiP: 2
Chemical formula: C6 H8 N2 O2
InChI: InChI=1S/C6H8N2O2/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)
InChIKey: AUHRREWMYVOMRT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)NCc1occc1
ACDLabs 12.01NC(NCc1ccco1)=O
OpenEye OEToolkits 2.0.7c1cc(oc1)CNC(=O)N
Name:N-[(furan-2-yl)methyl]urea
ZINC: ZINC000000162619
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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