SEQ2FUN

BioLiP

PDB CCD ID: JNZ
Number of entries in BioLiP: 2
Chemical formula: C7 H7 N3
InChI: InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)
InChIKey: YDTDKKULPWTHRV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(n[nH]2)N
ACDLabs 12.01n2c(c1ccccc1n2)N
CACTVS 3.370Nc1n[nH]c2ccccc12
Name:1H-indazol-3-amine
ChEMBL: CHEMBL1331627
ZINC: ZINC000003954002
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).