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BioLiP

PDB CCD ID: 3DG
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N5 O4
InChI: InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1
InChIKey: OROIAVZITJBGSM-OBXARNEKSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(CC3O)CO
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)C[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)C[CH]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(CC(O3)CO)O)N=C(NC2=O)N
Name:9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINE;
3-DEOXYGUANOSINE
ChEMBL: CHEMBL73502
DrugBank: DB03609
ZINC: ZINC000006119279
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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