SEQ2FUN

BioLiP

PDB CCD ID: A1AXU
Number of entries in BioLiP: 1
Chemical formula: C7 H5 Br N4
InChI: InChI=1S/C7H5BrN4/c8-6-4-9-7(10-5-6)12-3-1-2-11-12/h1-5H
InChIKey: XQBZYQWGCLJVAF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnn(c1)c2ncc(cn2)Br
CACTVS 3.385Brc1cnc(nc1)n2cccn2
ACDLabs 12.01Brc1cnc(nc1)n1cccn1
Name:5-bromo-2-(1H-pyrazol-1-yl)pyrimidine
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).