SEQ2FUN

BioLiP

PDB CCD ID: 1XM
Number of entries in BioLiP: 2
Chemical formula: C5 H5 N5 S
InChI: InChI=1S/C5H5N5S/c6-3-2-1-7-10-4(2)9-5(11)8-3/h1H,(H4,6,7,8,9,10,11)
InChIKey: YJMNLDSYAAJOPX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=NC(=S)Nc2[nH]ncc12
OpenEye OEToolkits 1.7.6c1c2c([nH]n1)NC(=S)N=C2N
ACDLabs 12.01S=C1N=C(c2c(N1)nnc2)N
Name:4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione
ChEMBL: CHEMBL4436742
ZINC: ZINC000001688374
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).