SEQ2FUN

BioLiP

PDB CCD ID: RYF
Number of entries in BioLiP: 1
Chemical formula: C11 H8 I N5
InChI: InChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
InChIKey: QSDMHOAEIDKWQL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Ic1ccc(Nc2ncnc3[nH]ncc23)cc1
OpenEye OEToolkits 3.1.0.0c1cc(ccc1Nc2c3cn[nH]c3ncn2)I
Name:~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine
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).