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BioLiP

PDB CCD ID: 18M
Number of entries in BioLiP: 0
Chemical formula: C11 H17 N5 O11 P2
InChI: InChI=1S/C11H17N5O11P2/c1-24-7-6(27-29(21,22)23)4(2-25-28(18,19)20)26-10(7)16-3-13-5-8(16)14-11(12)15-9(5)17/h3-4,6-7,10H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)(H3,12,14,15,17)/t4-,6-,7-,10-/m1/s1
InChIKey: SKZHCLKZMCYMDN-KQYNXXCUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)COP(=O)(O)O)OP(=O)(O)O
ACDLabs 12.01O=P(O)(O)OCC3OC(n1cnc2c1NC(=NC2=O)N)C(OC)C3OP(=O)(O)O
OpenEye OEToolkits 1.7.6COC1C(C(OC1n2cnc3c2NC(=NC3=O)N)COP(=O)(O)O)OP(=O)(O)O
CACTVS 3.370CO[CH]1[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)N=C(N)Nc23
CACTVS 3.370CO[C@@H]1[C@H](O[P](O)(O)=O)[C@@H](CO[P](O)(O)=O)O[C@H]1n2cnc3C(=O)N=C(N)Nc23
Name:2'-O-methylguanosine 3',5'-bis(dihydrogen phosphate)
ZINC: ZINC000098207929
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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