SEQ2FUN

BioLiP

PDB CCD ID: WQA
Number of entries in BioLiP: 1
Chemical formula: C6 H6 N4
InChI: InChI=1S/C6H6N4/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,7H2,(H,8,9,10)
InChIKey: OVICNYHPCJRQEY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1c2c(cc(N)c1)cnn2
OpenEye OEToolkits 2.0.7c1c2c[nH]nc2ncc1N
CACTVS 3.385Nc1cnc2n[nH]cc2c1
Name:2H-pyrazolo[3,4-b]pyridin-5-amine
ZINC: ZINC000018556296
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).