SEQ2FUN

BioLiP

PDB CCD ID: ARJ
Number of entries in BioLiP: 6
Chemical formula: C11 H13 N5 O3
InChI: InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,9,17,19H,1-2H2,(H2,12,13,14)/t5-,6-,9+/m1/s1
InChIKey: CWNCBQJCRSRXGI-KCRUCZTKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3C[C@H](CO)C(=O)[C@H]3O
ACDLabs 10.04O=C3C(O)C(n1c2ncnc(c2nc1)N)CC3CO
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3CC(C(=O)C3O)CO)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3C[CH](CO)C(=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N
Name:(2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone;
3'-keto-aristeromycin
ZINC: ZINC000005941131
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).