SEQ2FUN

BioLiP

PDB CCD ID: YPF
Number of entries in BioLiP: 0
Chemical formula: C22 H19 O5 P
InChI: InChI=1S/C22H19O5P/c23-13-3-1-5-17-7-9-19-11-12-20-10-8-18(16-22(20)21(19)15-17)6-2-4-14-27-28(24,25)26/h7-12,15-16,23H,3-4,13-14H2,(H2,24,25,26)
InChIKey: JDPQANOZGIUPKU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCC#Cc1ccc2ccc3ccc(cc3c2c1)C#CCCO[P](O)(O)=O
OpenEye OEToolkits 2.0.5c1cc2ccc(cc2c3c1ccc(c3)C#CCCO)C#CCCOP(=O)(O)O
Name:4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate
ZINC: ZINC000584905737
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).