SEQ2FUN

BioLiP

PDB CCD ID: A1AY3
Number of entries in BioLiP: 3
Chemical formula: C6 H4 Br N3
InChI: InChI=1S/C6H4BrN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10)
InChIKey: ANQCOJNSEVIFFL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cncc2c1c(n[nH]2)Br
CACTVS 3.385Brc1n[nH]c2cnccc12
ACDLabs 12.01Brc1n[NH]c2cnccc21
Name:3-bromo-1H-pyrazolo[3,4-c]pyridine
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).