SEQ2FUN

BioLiP

PDB CCD ID: BR9
Number of entries in BioLiP: 1
Chemical formula: C5 H6 Br N3
InChI: InChI=1S/C5H6BrN3/c6-3-1-4(7)5(8)9-2-3/h1-2H,7H2,(H2,8,9)
InChIKey: YRGMYJUKFJPNPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cc(Br)cnc1N
OpenEye OEToolkits 2.0.6c1c(cnc(c1N)N)Br
Name:5-bromopyridine-2,3-diamine
ChEMBL: CHEMBL4060760
ZINC: ZINC000018995568
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).