SEQ2FUN

BioLiP

PDB CCD ID: PYP
Number of entries in BioLiP: 0
Chemical formula: C21 H19 O6 P
InChI: InChI=1S/C21H19O6P/c22-17-10-18(27-19(17)11-26-28(23,24)25)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)21(14)20(12)13/h1-9,17-19,22H,10-11H2,(H2,23,24,25)/t17-,18+,19+/m0/s1
InChIKey: JJJZGYICTVDZQU-IPMKNSEASA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(OCC5OC(c4c1c3c2c(cc1)cccc2ccc3cc4)CC5O)(O)O
CACTVS 3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)c2ccc3ccc4cccc5ccc2c3c45
OpenEye OEToolkits 1.5.0c1cc2ccc3ccc(c4c3c2c(c1)cc4)C5CC(C(O5)COP(=O)(O)O)O
CACTVS 3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2ccc3ccc4cccc5ccc2c3c45
OpenEye OEToolkits 1.5.0c1cc2ccc3ccc(c4c3c2c(c1)cc4)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O
Name:2'-DEOXYRIBOFURANOSYLPYRENE-5'-MONOPHOSPHATE
ZINC: ZINC000058650253
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).