SEQ2FUN

BioLiP

PDB CCD ID: 7I2
Number of entries in BioLiP: 4
Chemical formula: C8 H7 N5 O2
InChI: InChI=1S/C8H7N5O2/c9-8(10)12-4-5-2-1-3-6(13(14)15)7(5)11-12/h1-4H,(H3,9,10)
InChIKey: GFYAZUABYOOPCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04[O-][N+](=O)c2cccc1c2nn(c1)C(=[N@H])N
OpenEye OEToolkits 1.5.0c1cc2cn(nc2c(c1)[N+](=O)[O-])C(=N)N
CACTVS 3.341NC(=N)n1cc2cccc(c2n1)[N+]([O-])=O
Name:7-NITROINDAZOLE-2-CARBOXAMIDINE
DrugBank: DB03065
ZINC: ZINC000003871238
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).