SEQ2FUN

BioLiP

PDB CCD ID: 6AI
Number of entries in BioLiP: 1
Chemical formula: C7 H7 N3
InChI: InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10)
InChIKey: KEJFADGISRFLFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2cn[nH]c2cc1N
CACTVS 3.370Nc1ccc2cn[nH]c2c1
ACDLabs 12.01n2cc1ccc(cc1n2)N
Name:1H-indazol-6-amine
ChEMBL: CHEMBL594707
ZINC: ZINC000004353646
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).