SEQ2FUN

BioLiP

PDB CCD ID: M6Z
Number of entries in BioLiP: 2
Chemical formula: C9 H8 I N3 O
InChI: InChI=1S/C9H8IN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)
InChIKey: RJUNKUYOTNQVNF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)c1c2cc(ccc2[nH]n1)I
CACTVS 3.385CNC(=O)c1n[nH]c2ccc(I)cc12
Name:5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide
ChEMBL: CHEMBL3467551
ZINC: ZINC000095962066
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).