SEQ2FUN

BioLiP

PDB CCD ID: BYZ
Number of entries in BioLiP: 44
Chemical formula: C3 H3 Br N2
InChI: InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey: WVGCPEDBFHEHEZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c(cn[nH]1)Br
CACTVS 3.370Brc1c[nH]nc1
ACDLabs 12.01Brc1cnnc1
Name:4-bromo-1H-pyrazole
ChEMBL: CHEMBL4440111
ZINC: ZINC000000967315
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).