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BioLiP

PDB CCD ID: 3H0
Number of entries in BioLiP: 4
Chemical formula: C9 H12
InChI: InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKey: ODLMAHJVESYWTB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1ccccc1CCC
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCCc1ccccc1
Name:propylbenzene
ChEMBL: CHEMBL286062
ZINC: ZINC000001747837
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)(download the PDF file).
  • 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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