SEQ2FUN

BioLiP

PDB CCD ID: A1I75
Number of entries in BioLiP: 2
Chemical formula: C5 H5 Br N2
InChI: InChI=1S/C5H5BrN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
InChIKey: WGOLHUGPTDEKCF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc(Br)cn1
OpenEye OEToolkits 2.0.7c1cc(ncc1Br)N
Name:5-bromanylpyridin-2-amine
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).