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BioLiP

PDB CCD ID: 23G
Number of entries in BioLiP: 4
Chemical formula: C10 H13 N5 O10 P2
InChI: InChI=1S/C10H13N5O10P2/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(24-27(20,21)25-6)3(23-9)1-22-26(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H2,17,18,19)(H3,11,13,14,16)/t3-,5-,6-,9-/m1/s1
InChIKey: ZBMMALUAVDLKSL-UUOKFMHZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[P](O)(=O)O[CH]34
ACDLabs 11.02O=C4NC(=Nc1c4ncn1C2OC(C3OP(=O)(O)OC23)COP(=O)(O)O)N
CACTVS 3.352NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@H]4O[P](O)(=O)O[C@@H]34
OpenEye OEToolkits 1.7.0c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N
OpenEye OEToolkits 1.7.0c1nc2c(n1C3C4C(C(O3)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N
Name:GUANOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE
ZINC: ZINC000058631975

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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