SEQ2FUN

BioLiP

PDB CCD ID: BM0
Number of entries in BioLiP: 14
Chemical formula: C8 H15 N2
InChI: InChI=1S/C8H15N2/c1-3-4-5-10-7-6-9(2)8-10/h6-8H,3-5H2,1-2H3/q+1
InChIKey: IQQRAVYLUAZUGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(C)CCn1cc[n+](c1)C
CACTVS 3.385CCCCn1cc[n+](C)c1
OpenEye OEToolkits 1.9.2CCCCn1cc[n+](c1)C
Name:1-butyl-3-methyl-1H-imidazol-3-ium;
1-butyl-3-methylimidazolium
ChEMBL: CHEMBL1198608
ZINC: ZINC000015783059
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).