SEQ2FUN

BioLiP

PDB CCD ID: HHN
Number of entries in BioLiP: 2
Chemical formula: C4 H3 Br N2
InChI: InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H
InChIKey: GYCPLYCTMDTEPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Brc1cncnc1
OpenEye OEToolkits 2.0.6c1c(cncn1)Br
Name:5-bromanylpyrimidine
ChEMBL: CHEMBL3423442
ZINC: ZINC000000967317
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).