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BioLiP

PDB CCD ID: 1PB
Number of entries in BioLiP: 2
Chemical formula: C16 H16
InChI: InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+
InChIKey: NJJOGKAVAWZLAU-NTUHNPAUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCC=Cc2ccccc2
ACDLabs 10.04C(=C/c1ccccc1)\CCc2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC\C=C\c2ccccc2
CACTVS 3.341C(Cc1ccccc1)C=Cc2ccccc2
CACTVS 3.341C(Cc1ccccc1)/C=C/c2ccccc2
Name:1,4-DIPHENYL-2-BUTENE;
[(1E)-4-PHENYLBUT-1-ENYL]BENZENE
ZINC: ZINC000014880527
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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