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BioLiP

PDB CCD ID: GX7
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N3 O2
InChI: InChI=1S/C10H15N3O2/c14-9-8(6-11-10(15)13-9)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H2,11,13,14,15)
InChIKey: WHMIGQGVTIZZPV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1C=C(C(NC1=O)=O)NC2CCCCC2
OpenEye OEToolkits 2.0.6C1CCC(CC1)NC2=CNC(=O)NC2=O
CACTVS 3.385O=C1NC=C(NC2CCCCC2)C(=O)N1
Name:5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione
ZINC: ZINC000000186837
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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