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BioLiP

PDB CCD ID: U4S
Number of entries in BioLiP: 1
Chemical formula: C13 H19 N3 O5
InChI: InChI=1S/C13H19N3O5/c17-9-3-6-16(13(20)14-9)12-11(19)10(18)8(21-12)7-15-4-1-2-5-15/h3,6,8,10-12,18-19H,1-2,4-5,7H2,(H,14,17,20)/t8-,10-,11+,12+/m0/s1
InChIKey: RPODXOXNOBCNGM-OHBODLIOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CN2CCCC2)N3C=CC(=O)NC3=O
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CN3CCCC3
OpenEye OEToolkits 1.5.0C1CCN(C1)CC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O
OpenEye OEToolkits 1.5.0C1CCN(C1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
CACTVS 3.341O[C@@H]1[C@@H](O)[C@@H](O[C@H]1CN2CCCC2)N3C=CC(=O)NC3=O
Name:1-(5-deoxy-5-pyrrolidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione
ZINC: ZINC000058649356
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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