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BioLiP

PDB CCD ID: 8P0
Number of entries in BioLiP: 6
Chemical formula: C16 H10
InChI: InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
InChIKey: BBEAQIROQSPTKN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2ccc3cccc4c3c2c(c1)cc4
ACDLabs 12.01c1cc4c3c(c1)ccc2cccc(c23)cc4
CACTVS 3.385c1cc2ccc3cccc4ccc(c1)c2c34
Name:pyrene
ChEMBL: CHEMBL279564
ZINC: ZINC000001758808
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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