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BioLiP Library

PDB CCD ID: BZG
Number of entries in BioLiP: 0
Chemical formula: C17 H20 N5 O7 P
InChI: InChI=1S/C17H20N5O7P/c18-17-20-15-14(16(21-17)27-7-10-4-2-1-3-5-10)19-9-22(15)13-6-11(23)12(29-13)8-28-30(24,25)26/h1-5,9,11-13,23H,6-8H2,(H2,18,20,21)(H2,24,25,26)/t11-,12+,13+/m0/s1
InChIKey: QWBOXDSUUMFHFW-YNEHKIRRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)C4CC(C(O4)COP(=O)(O)O)O
OpenEye OEToolkits 1.7.6c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O
CACTVS 3.370Nc1nc(OCc2ccccc2)c3ncn([CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4)c3n1
CACTVS 3.370Nc1nc(OCc2ccccc2)c3ncn([C@H]4C[C@H](O)[C@@H](CO[P](O)(O)=O)O4)c3n1
ACDLabs 12.01O=P(O)(O)OCC4OC(n3cnc2c3nc(nc2OCc1ccccc1)N)CC4O
Name:6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-9H-PURIN-2-AMINE;
O6-BENZYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
ZINC: ZINC000058638684
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)(download the PDF file).
  • 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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