SEQ2FUN

BioLiP

PDB CCD ID: TVW
Number of entries in BioLiP: 2
Chemical formula: C5 H5 N5
InChI: InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)
InChIKey: LHCPRYRLDOSKHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c2c(ncnc2n[nH]1)N
CACTVS 3.385Nc1ncnc2n[nH]cc12
Name:1H-pyrazolo[3,4-d]pyrimidin-4-amine;
2~{H}-pyrazolo[3,4-d]pyrimidin-4-amine
ChEMBL: CHEMBL388593
ZINC: ZINC000013542589
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).