SEQ2FUN

BioLiP

PDB CCD ID: 7CY
Number of entries in BioLiP: 4
Chemical formula: C11 H15 N5 O3
InChI: InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
InChIKey: UGRNVLGKAGREKS-GCXDCGAKSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1cnc2c(c1N)ncn2C3C(O)C(C(C3)CO)O
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3C[CH](CO)[CH](O)[CH]3O
OpenEye OEToolkits 2.0.6c1nc(c2c(n1)n(cn2)C3CC(C(C3O)O)CO)N
OpenEye OEToolkits 2.0.6c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO)N
CACTVS 3.385Nc1ncnc2n(cnc12)[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O
Name:(1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol;
Aristeromycin
ChEMBL: CHEMBL49935
ZINC: ZINC000003832327
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).