SEQ2FUN

BioLiP

PDB CCD ID: OXE
Number of entries in BioLiP: 7
Chemical formula: C8 H10
InChI: InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
InChIKey: CTQNGGLPUBDAKN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cc1ccccc1C
ACDLabs 10.04c1cccc(c1C)C
Name:ORTHO-XYLENE
ChEMBL: CHEMBL45005
ZINC: ZINC000000968282
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).