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BioLiP

PDB CCD ID: 2ND
Number of entries in BioLiP: 1
Chemical formula: C10 H12 N4 O4
InChI: InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1
InChIKey: VGONTNSXDCQUGY-RRKCRQDMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC=Nc23
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CC(C(O3)CO)O)N=CNC2=O
CACTVS 3.341OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3C(=O)NC=Nc23
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC2=O
ACDLabs 10.04O=C1c2ncn(c2N=CN1)C3OC(C(O)C3)CO
Name:2'-DEOXYINOSINE
ChEMBL: CHEMBL1229971
DrugBank: DB02380
ZINC: ZINC000012493443
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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