SEQ2FUN

BioLiP

PDB CCD ID: HS0
Number of entries in BioLiP: 2
Chemical formula: C7 H6 Br N3
InChI: InChI=1S/C7H6BrN3/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,9H2,(H,10,11)
InChIKey: JORDVWJEXMDSBI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(cc2c(c1N)cn[nH]2)Br
CACTVS 3.385Nc1cc(Br)cc2[nH]ncc12
Name:6-bromanyl-1~{H}-indazol-4-amine
ChEMBL: CHEMBL5219838
ZINC: ZINC000014983010
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).