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BioLiP Library

PDB CCD ID: 56L
Number of entries in BioLiP: 1
Chemical formula: C7 H10 N2 O2 S
InChI: InChI=1S/C7H10N2O2S/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3-4H,1-2H3,(H2,8,9,10,11,12)
InChIKey: QWVRNSPNBZGMRZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CC(C1C(NC(NC1=O)=S)=O)C
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CC(C)C1C(=O)NC(=S)NC1=O
Name:5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
ZINC: ZINC000001471012
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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