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BioLiP

PDB CCD ID: 141
Number of entries in BioLiP: 8
Chemical formula: C5 H4 N4 O2
InChI: InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKey: HXNFUBHNUDHIGC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1N=C2C(C(=O)N1)=CNN2
OpenEye OEToolkits 1.7.6C1=C2C(=NC(=O)NC2=O)NN1
CACTVS 3.385O=C1NC(=O)C2=CNNC2=N1
Name:Oxypurinol;
Alloxanthine
ChEMBL: CHEMBL859
DrugBank: DB05262
ZINC: ZINC000084462581
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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