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BioLiP

PDB CCD ID: CGR
Number of entries in BioLiP: 2
Chemical formula: C15 H23 N5 O14 P2
InChI: InChI=1S/C15H23N5O14P2/c16-15-17-11-6(12(25)18-15)19-3-20(11)14-10(24)8(22)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(21)9(23)13(19)32-4/h4-5,7-10,13-14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,17,18,25)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1
InChIKey: XBIQPWWXYHHVOT-AIKIOGRUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C2C(C(C(O2)N3CN(C4C(C(C(O4)COP(=O)(OP(=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O
CACTVS 3.341NC1=NC2=C(N3CN2[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]3[CH](O)[CH]5O)[CH](O)[CH]4O)C(=O)N1
OpenEye OEToolkits 1.5.0C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3CN([C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O
CACTVS 3.341NC1=NC2=C(N3CN2[C@@H]4O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]5O[C@@H]3[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)C(=O)N1
ACDLabs 10.04O=C1C=2N3CN(C=2N=C(N)N1)C5OC(COP(=O)(O)OP(=O)(O)OCC4OC3C(O)C4O)C(O)C5O
Name:CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE;
CYCLIC GDP-RIBOSE
ZINC: ZINC000064497468
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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