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BioLiP Library

PDB CCD ID: 7GU
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N4 O7 P
InChI: InChI=1S/C11H15N4O7P/c12-11-13-9-5(10(17)14-11)1-2-15(9)8-3-6(16)7(22-8)4-21-23(18,19)20/h1-2,6-8,16H,3-4H2,(H2,18,19,20)(H3,12,13,14,17)/t6-,7+,8+/m0/s1
InChIKey: XSAPYRXAHBJNQR-XLPZGREQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(ccc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
CACTVS 3.341NC1=Nc2n(ccc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0c1cn(c2c1C(=O)NC(=N2)N)C3CC(C(O3)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0c1cn(c2c1C(=O)NC(=N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
ACDLabs 10.04O=C1c2c(N=C(N)N1)n(cc2)C3OC(C(O)C3)COP(=O)(O)O
Name:7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
ZINC: ZINC000058632343
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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