SEQ2FUN

BioLiP

PDB CCD ID: 8VH
Number of entries in BioLiP: 0
Chemical formula: C8 H10
InChI: InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
InChIKey: IVSZLXZYQVIEFR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cccc(c1)C
CACTVS 3.385Cc1cccc(C)c1
Name:1,3-dimethylbenzene
ChEMBL: CHEMBL286727
ZINC: ZINC000000968281
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).