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BioLiP

PDB CCD ID: 2EG
Number of entries in BioLiP: 0
Chemical formula: C12 H18 N5 O7 P
InChI: InChI=1S/C12H18N5O7P/c1-2-13-12-15-10-9(11(19)16-12)14-5-17(10)8-3-6(18)7(24-8)4-23-25(20,21)22/h5-8,18H,2-4H2,1H3,(H2,20,21,22)(H2,13,15,16,19)/t6-,7+,8+/m0/s1
InChIKey: HXJCRKAPBPSPMX-XLPZGREQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCNC1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N1
CACTVS 3.341CCNC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0CCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1
CACTVS 3.341CCNC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
ACDLabs 10.04O=C1c2ncn(c2N=C(NCC)N1)C3OC(C(O)C3)COP(=O)(O)O
Name:2'-DEOXY-N-ETHYLGUANOSINE 5'-PHOSPHATE
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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