SEQ2FUN

BioLiP

PDB CCD ID: EIV
Number of entries in BioLiP: 0
Chemical formula: C4 H5 N3 O2
InChI: InChI=1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3
InChIKey: JLZXSFPSJJMRIX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01[O-][N+](=O)c1cncn1C
CACTVS 3.385Cn1cncc1[N+]([O-])=O
OpenEye OEToolkits 2.0.7Cn1cncc1[N+](=O)[O-]
Name:1-methyl-5-nitro-1H-imidazole
ChEMBL: CHEMBL454026
ZINC: ZINC000008294935
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).