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BioLiP

PDB CCD ID: 3H2
Number of entries in BioLiP: 1
Chemical formula: C11 H16
InChI: InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
InChIKey: PWATWSYOIIXYMA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1ccccc1CCCCC
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCCCCc1ccccc1
Name:pentylbenzene
ZINC: ZINC000001699444
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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