SEQ2FUN

BioLiP

PDB CCD ID: J58
Number of entries in BioLiP: 1
Chemical formula: C7 H6 Br N3
InChI: InChI=1S/C7H6BrN3/c8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,9H2,(H,10,11)
InChIKey: AOKHRTSXJINPPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1N)c([nH]n2)Br
CACTVS 3.385Nc1ccc2n[nH]c(Br)c2c1
Name:3-bromanyl-2~{H}-indazol-5-amine
ChEMBL: CHEMBL4871572
ZINC: ZINC000014983620

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).