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BioLiP

PDB CCD ID: U3S
Number of entries in BioLiP: 1
Chemical formula: C14 H21 N3 O5
InChI: InChI=1S/C14H21N3O5/c18-10-4-7-17(14(21)15-10)13-12(20)11(19)9(22-13)8-16-5-2-1-3-6-16/h4,7,9,11-13,19-20H,1-3,5-6,8H2,(H,15,18,21)/t9-,11-,12+,13+/m0/s1
InChIKey: PJCAMYRNNJAIMT-FTYKPCCVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[C@@H]1[C@@H](O)[C@@H](O[C@H]1CN2CCCCC2)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.5.0C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CN2CCCCC2)N3C=CC(=O)NC3=O
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CN3CCCCC3
OpenEye OEToolkits 1.5.0C1CCN(CC1)CC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O
Name:1-(5-deoxy-5-piperidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione
ZINC: ZINC000058639054
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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