SEQ2FUN

BioLiP

PDB CCD ID: 2ZM
Number of entries in BioLiP: 4
Chemical formula: C7 H5 N3 O2
InChI: InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
InChIKey: XPAZGLFMMUODDK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01[O-][N+](=O)c1cc2ncnc2cc1
OpenEye OEToolkits 1.7.6c1cc2c(cc1[N+](=O)[O-])nc[nH]2
CACTVS 3.385[O-][N+](=O)c1ccc2[nH]cnc2c1
Name:5-nitro-1H-benzimidazole
ChEMBL: CHEMBL164921
ZINC: ZINC000004693007
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).