SEQ2FUN

BioLiP

PDB CCD ID: 5B2
Number of entries in BioLiP: 1
Chemical formula: C13 H11 N3
InChI: InChI=1S/C13H11N3/c14-13-11-8-10(6-7-12(11)15-16-13)9-4-2-1-3-5-9/h1-8H,(H3,14,15,16)
InChIKey: ZCUSNQPYUNLATP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1n[nH]c2ccc(cc12)c3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N
ACDLabs 10.04n2c(c1cc(ccc1n2)c3ccccc3)N
Name:5-phenyl-1H-indazol-3-amine
ChEMBL: CHEMBL500779
DrugBank: DB07161
ZINC: ZINC000039187975
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).