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BioLiP

PDB CCD ID: GY5
Number of entries in BioLiP: 1
Chemical formula: C20 H24 N4 O6
InChI: InChI=1S/C20H24N4O6/c1-29-11-9-21-19(27)16-17(26)20(28)23-18(22-16)14-8-5-10-24(14)15(25)12-30-13-6-3-2-4-7-13/h2-4,6-7,14,26H,5,8-12H2,1H3,(H,21,27)(H,22,23,28)/t14-/m0/s1
InChIKey: QXPINDFCNAGJSF-AWEZNQCLSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1(CCCC1C2=NC(C(NCCOC)=O)=C(C(N2)=O)O)C(=O)COc3ccccc3
CACTVS 3.385COCCNC(=O)C1=C(O)C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3
OpenEye OEToolkits 2.0.6COCCNC(=O)C1=C(C(=O)NC(=N1)C2CCCN2C(=O)COc3ccccc3)O
OpenEye OEToolkits 2.0.6COCCNC(=O)C1=C(C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3)O
CACTVS 3.385COCCNC(=O)C1=C(O)C(=O)NC(=N1)[CH]2CCCN2C(=O)COc3ccccc3
Name:5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide;
SRI-29685
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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