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BioLiP

PDB CCD ID: S6U
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N4 O4
InChI: InChI=1S/C12H12N4O4/c17-11(19-5-3-16-4-6-20-12(16)18)9-8-1-2-13-10(8)15-7-14-9/h1-2,7H,3-6H2,(H,13,14,15)
InChIKey: RHERHAVCXHCXQJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1OCCN1CCOC(=O)c1ncnc2[NH]ccc21
CACTVS 3.385O=C1OCCN1CCOC(=O)c2ncnc3[nH]ccc23
OpenEye OEToolkits 2.0.7c1c[nH]c2c1c(ncn2)C(=O)OCCN3CCOC3=O
Name:2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
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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