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BioLiP

PDB CCD ID: TPG
Number of entries in BioLiP: 1
Chemical formula: C23 H35 N10 O18 P3
InChI: InChI=1S/C23H35N10O18P3/c1-30(2)23-27-17-11(19(39)29-23)31(3)7-33(17)21-15(37)13(35)9(49-21)5-47-53(42,43)51-54(44,45)50-52(40,41)46-4-8-12(34)14(36)20(48-8)32-6-25-10-16(32)26-22(24)28-18(10)38/h6,8-9,12-15,20-21,34-37H,4-5,7H2,1-3H3,(H,40,41)(H,42,43)(H,44,45)(H,27,29,39)(H3,24,26,28,38)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
InChIKey: QBEUSSFUVVPDGT-NAGRZYTCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN(C)C1=NC2=C(N(C)CN2[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O)C(=O)N1
OpenEye OEToolkits 1.5.0CN1CN(C2=C1C(=O)NC(=N2)N(C)C)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O
CACTVS 3.341CN(C)C1=NC2=C(N(C)CN2[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6C(=O)NC(=Nc56)N)[C@@H](O)[C@H]3O)C(=O)N1
OpenEye OEToolkits 1.5.0CN1CN(C2=C1C(=O)NC(=N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O
Name:2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE
ZINC: ZINC000263620922
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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