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BioLiP

PDB CCD ID: PPO
Number of entries in BioLiP: 2
Chemical formula: C5 H4 N4 O
InChI: InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h2H,1H2,(H,6,7,10)
InChIKey: OGCXIHWGXUQTCQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(c(n1)O)N=NC2
CACTVS 3.341Oc1ncnc2CN=Nc12
ACDLabs 10.04n2c1c(N=NC1)c(nc2)O
Name:3H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL
DrugBank: DB03153
ZINC: ZINC000012503118
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)(download the PDF file).
  • 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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