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BioLiP

PDB CCD ID: 7HP
Number of entries in BioLiP: 14
Chemical formula: C5 H4 N4 O
InChI: InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)
InChIKey: JFZSDNLQDTYVEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(O)c2c(nc1)cnn2
CACTVS 3.341Oc1ncnc2cn[nH]c12
OpenEye OEToolkits 1.5.0c1c2c(c(ncn2)O)[nH]n1
Name:7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE
ZINC: ZINC000011592630
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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