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BioLiP

PDB CCD ID: YPE
Number of entries in BioLiP: 0
Chemical formula: C24 H19 O5 P
InChI: InChI=1S/C24H19O5P/c25-15-3-1-5-17-7-9-19-11-12-20-10-8-18(6-2-4-16-29-30(26,27)28)22-14-13-21(17)23(19)24(20)22/h7-14,25H,3-4,15-16H2,(H2,26,27,28)
InChIKey: QWSXKIZRUZWABW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc2ccc(c3c2c4c1ccc(c4cc3)C#CCCO)C#CCCOP(=O)(O)O
CACTVS 3.385OCCC#Cc1ccc2ccc3ccc(C#CCCO[P](O)(O)=O)c4ccc1c2c34
ACDLabs 12.01O(P(O)(O)=O)CCC#Cc1ccc3c2c1ccc4c2c(cc3)ccc4C#CCCO
Name:4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate
ZINC: ZINC000584905747
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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