SEQ2FUN

BioLiP

PDB CCD ID: SEZ
Number of entries in BioLiP: 0
Chemical formula: C9 H12
InChI: InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
InChIKey: AUHZEENZYGFFBQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1)C)C
CACTVS 3.385Cc1cc(C)cc(C)c1
Name:1,3,5-trimethylbenzene;
mesitylene
ChEMBL: CHEMBL1797281
ZINC: ZINC000001699890
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).