SEQ2FUN

BioLiP

PDB CCD ID: 26A
Number of entries in BioLiP: 4
Chemical formula: C12 H17 N5 O4
InChI: InChI=1S/C12H17N5O4/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1
InChIKey: WVGPGNPCZPYCLK-WOUKDFQISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O
OpenEye OEToolkits 1.5.0CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
ACDLabs 10.04n2c1c(ncnc1N(C)C)n(c2)C3OC(C(O)C3O)CO
CACTVS 3.341CN(C)c1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
CACTVS 3.341CN(C)c1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
Name:6N-DIMETHYLADENOSINE
ChEMBL: CHEMBL1229848
ZINC: ZINC000004096103
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).