SEQ2FUN

BioLiP

PDB CCD ID: 5B1
Number of entries in BioLiP: 1
Chemical formula: C7 H6 Br N3
InChI: InChI=1S/C7H6BrN3/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H3,9,10,11)
InChIKey: OMPYFDJVSAMSMA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1Br)c(n[nH]2)N
ACDLabs 10.04Brc1cc2c(cc1)nnc2N
CACTVS 3.341Nc1n[nH]c2ccc(Br)cc12
Name:5-bromo-1H-indazol-3-amine
ChEMBL: CHEMBL465091
ZINC: ZINC000000332240
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).