SEQ2FUN

BioLiP

PDB CCD ID: ZCI
Number of entries in BioLiP: 3
Chemical formula: C3 H3 Br N2
InChI: InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKey: AXHRGVJWDJDYPO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Brc1[nH]ccn1
ACDLabs 12.01Brc1ncc[NH]1
OpenEye OEToolkits 2.0.7c1cnc([nH]1)Br
Name:2-bromo-1H-imidazole
ChEMBL: CHEMBL292042
ZINC: ZINC000002577854
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).