SEQ2FUN

BioLiP

PDB CCD ID: 2HU
Number of entries in BioLiP: 1
Chemical formula: C8 H6 N2 O2
InChI: InChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H
InChIKey: OZFPSOBLQZPIAV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[O-][N+](=O)c1ccc2[nH]ccc2c1
ACDLabs 12.01[O-][N+](=O)c1cc2c(cc1)ncc2
OpenEye OEToolkits 1.7.6c1cc2c(cc[nH]2)cc1[N+](=O)[O-]
Name:5-nitro-1H-indole
ChEMBL: CHEMBL164651
ZINC: ZINC000000105247
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).