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BioLiP

PDB CCD ID: 2AD
Number of entries in BioLiP: 3
Chemical formula: C10 H14 N6 O3
InChI: InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
InChIKey: CQKMBZHLOYVGHW-QYYRPYCUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)N)N
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3N)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N)N
CACTVS 3.341N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23
CACTVS 3.341N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3c(N)ncnc23
Name:2'-AMINO-2'-DEOXYADENOSINE
ChEMBL: CHEMBL133809
DrugBank: DB04102
ZINC: ZINC000053204366
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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