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BioLiP

PDB CCD ID: 204
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N3 O3
InChI: InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)
InChIKey: HRRHGLKNOJHIGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCOC(=O)c1cnc(nc1O)N
CACTVS 3.341CCOC(=O)c1cnc(N)nc1O
ACDLabs 10.04O=C(OCC)c1cnc(nc1O)N
Name:2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
DrugBank: DB06906
ZINC: ZINC000008078165
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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