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BioLiP

PDB CCD ID: 2SG
Number of entries in BioLiP: 0
Chemical formula: C10 H16 N5 O6 P S2
InChI: InChI=1S/C10H16N5O6PS2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(21-9)1-20-22(19,23)24/h2-3,5-6,9,16-17,19,22-24H,1H2,(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey: QDXYMRDLKNFEJR-UUOKFMHZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[PH](O)(S)S)[C@@H](O)[C@H]3O
ACDLabs 12.01O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(O)(S)S
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(O)(S)S)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[PH](O)(S)S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)(S)S)O)O)N=C(NC2=O)N
Name:guanosine phosphorodithioate
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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