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BioLiP

PDB CCD ID: KAK
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N5 O7 P
InChI: InChI=1S/C10H14N5O7P/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(22-9)2-21-23(18,19)20/h3-5,9,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1
InChIKey: FDFODSATEZEUMJ-OBXARNEKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=NC(=O)c2ncn([C@@H]3O[C@H](CO[P](O)(O)=O)C[C@H]3O)c2N1
OpenEye OEToolkits 2.0.7c1nc2c(n1C3C(CC(O3)COP(=O)(O)O)O)NC(=NC2=O)N
CACTVS 3.385NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(O)=O)C[CH]3O)c2N1
OpenEye OEToolkits 2.0.7c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)NC(=NC2=O)N
Name:3'-deoxy-guanosine-5'-monophosphate
ZINC: ZINC000013517233
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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