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BioLiP

PDB CCD ID: 1T4
Number of entries in BioLiP: 13
Chemical formula: C18 H13 N O
InChI: InChI=1S/C18H13NO/c1-11(20)19-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-10H,1H3,(H,19,20)
InChIKey: GJNGMQYHOZFQNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Nc4ccc2ccc1cccc3c1c2c4cc3)C
OpenEye OEToolkits 1.7.6CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4
CACTVS 3.370CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34
Name:N-(pyren-1-yl)acetamide
ChEMBL: CHEMBL1346213
ZINC: ZINC000000334165
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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