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BioLiP

PDB CCD ID: NXB
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N6 O3
InChI: InChI=1S/C11H16N6O3/c12-5-2-20-6(9(19)8(5)18)1-17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,18-19H,1-2,12H2,(H2,13,14,15)/t5-,6-,8-,9+/m1/s1
InChIKey: YFNWLMALNRKCLH-GCXDCGAKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H]1CO[C@H](Cn2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O
CACTVS 3.385N[CH]1CO[CH](Cn2cnc3c(N)ncnc23)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)CC3C(C(C(CO3)N)O)O)N
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)C[C@@H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N
Name:(2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol
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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