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BioLiP

PDB CCD ID: OG9
Number of entries in BioLiP: 0
Chemical formula: C18 H12 O2
InChI: InChI=1S/C18H12O2/c19-16(20)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9H,10H2,(H,19,20)
InChIKey: SDJCLYBBPUHKCD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2ccc3ccc(c4c3c2c(c1)cc4)CC(=O)O
ACDLabs 12.01O=C(O)Cc1ccc2ccc3cccc4ccc1c2c34
CACTVS 3.385OC(=O)Cc1ccc2ccc3cccc4ccc1c2c34
Name:(pyren-1-yl)acetic acid
ZINC: ZINC000000395527
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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