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BioLiP

PDB CCD ID: PXY
Number of entries in BioLiP: 4
Chemical formula: C8 H10
InChI: InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
InChIKey: URLKBWYHVLBVBO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)C
CACTVS 3.341Cc1ccc(C)cc1
ACDLabs 10.04c1cc(ccc1C)C
Name:PARA-XYLENE
ChEMBL: CHEMBL31561
ZINC: ZINC000000968254
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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