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BioLiP Library

PDB CCD ID: 6NX
Number of entries in BioLiP: 1
Chemical formula: C8 H16 N2 O
InChI: InChI=1S/C8H16N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11)
InChIKey: YKLDLMXTBHWMPV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CNC(=O)NC1CCCCC1
Name:1-CYCLOHEXYL-3-METHYL-UREA
ZINC: ZINC000000395235
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)(download the PDF file).
  • 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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