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BioLiP

PDB CCD ID: G49
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N5 O7 P
InChI: InChI=1S/C11H16N5O7P/c1-12-11-14-9-8(10(18)15-11)13-4-16(9)7-2-5(17)6(23-7)3-22-24(19,20)21/h4-7,17H,2-3H2,1H3,(H2,19,20,21)(H2,12,14,15,18)/t5-,6+,7+/m0/s1
InChIKey: PDYXRHCXSYUBDG-RRKCRQDMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CNC1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N1
CACTVS 3.341CNC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0CNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1
CACTVS 3.341CNC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
ACDLabs 10.04O=C1c2ncn(c2N=C(NC)N1)C3OC(C(O)C3)COP(=O)(O)O
Name:N2-METHYL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE
ZINC: ZINC000058627004
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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