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BioLiP

PDB CCD ID: N6P
Number of entries in BioLiP: 4
Chemical formula: C20 H19 N4 O7 P
InChI: InChI=1S/C20H19N4O7P/c25-17-14(8-30-32(27,28)29)31-20(18(17)26)24-10-23-16-15(21-9-22-19(16)24)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,14,17-18,20,25-26H,8H2,(H2,27,28,29)/t14-,17-,18-,20-/m1/s1
InChIKey: LQGRESLLVHYRLI-VXXKDZQQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c2ncnc3c4ccc5ccccc5c4
ACDLabs 12.01O=P(O)(O)OCC5OC(n2cnc1c(ncnc12)c4cc3ccccc3cc4)C(O)C5O
OpenEye OEToolkits 1.9.2c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)C5C(C(C(O5)COP(=O)(O)O)O)O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c2ncnc3c4ccc5ccccc5c4
OpenEye OEToolkits 1.9.2c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O
Name:6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine;
6-Naphthylpurine riboside 5'-monophosphate
ChEMBL: CHEMBL3331362
ZINC: ZINC000098209210
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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