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BioLiP

PDB CCD ID: 3AD
Number of entries in BioLiP: 7
Chemical formula: C10 H13 N5 O3
InChI: InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
InChIKey: OFEZSBMBBKLLBJ-BAJZRUMYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(CC(O3)CO)O)N
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(CC3O)CO)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)C[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)C[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N
Name:3'-DEOXYADENOSINE
ChEMBL: CHEMBL305686
DrugBank: DB12156
ZINC: ZINC000001319796
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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