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BioLiP

PDB CCD ID: 0AD
Number of entries in BioLiP: 0
Chemical formula: C13 H20 N5 O7 P
InChI: InChI=1S/C13H20N5O7P/c1-2-3-14-13-16-11-10(12(20)17-13)15-6-18(11)9-4-7(19)8(25-9)5-24-26(21,22)23/h6-9,19H,2-5H2,1H3,(H2,21,22,23)(H2,14,16,17,20)/t7-,8+,9+/m0/s1
InChIKey: OWYUJGCLBCUIHH-DJLDLDEBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCNC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
CACTVS 3.341CCCNC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
ACDLabs 10.04O=C1c2ncn(c2N=C(NCCC)N1)C3OC(C(O)C3)COP(=O)(O)O
OpenEye OEToolkits 1.5.0CCCNC1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N1
OpenEye OEToolkits 1.5.0CCCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1
Name:2'-deoxy-N-propylguanosine 5'-(dihydrogen phosphate)
ZINC: ZINC000038377606
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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