SEQ2FUN

BioLiP

PDB CCD ID: 6HA
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N5 O6 P
InChI: InChI=1S/C11H16N5O6P/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(17)8(21-2-6)3-22-23(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m0/s1
InChIKey: YTRYYFQQGYRCHL-BIIVOSGPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3CO[C@H](CO[P](O)(O)=O)[C@@H](O)C3
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3CO[CH](CO[P](O)(O)=O)[CH](O)C3
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3CC(C(OC3)COP(=O)(O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N
ACDLabs 10.04O=P(O)(O)OCC3OCC(n1cnc2c(ncnc12)N)CC3O
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
ZINC: ZINC000058632395
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).