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BioLiP

PDB CCD ID: PRH
Number of entries in BioLiP: 6
Chemical formula: C10 H15 N4 O5
InChI: InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/p+1/t4-,6-,7-,9+,10-/m1/s1
InChIKey: WGRXVKRHIMUTPD-YOHZANMFSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c[nH+]c3[C@H](O)NC=Nc23
ACDLabs 10.04OC1c2[nH+]cn(c2N=CN1)C3OC(C(O)C3O)CO
OpenEye OEToolkits 1.5.0c1[nH+]c2c(n1C3C(C(C(O3)CO)O)O)N=CNC2O
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)n2c[nH+]c3[CH](O)NC=Nc23
Name:6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE
DrugBank: DB03015
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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