SEQ2FUN

BioLiP

PDB CCD ID: RDG
Number of entries in BioLiP: 0
Chemical formula: C15 H18 N5 O8 P
InChI: InChI=1S/C15H18N5O8P/c21-9-4-11(28-10(9)6-27-29(23,24)25)20-7-17-12-13(20)18-15(19-14(12)22)16-5-8-2-1-3-26-8/h1-3,7,9-11,21H,4-6H2,(H2,23,24,25)(H2,16,18,19,22)/t9-,10+,11+/m0/s1
InChIKey: DBFJIGOYTNZKTK-HBNTYKKESA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)NCc4occc4
OpenEye OEToolkits 1.7.6c1cc(oc1)CNC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2
CACTVS 3.370O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)NCc4occc4
OpenEye OEToolkits 1.7.6c1cc(oc1)CNC2=Nc3c(ncn3C4CC(C(O4)COP(=O)(O)O)O)C(=O)N2
ACDLabs 12.01O=P(O)(O)OCC4OC(n3cnc2c3N=C(NCc1occc1)NC2=O)CC4O
Name:2'-deoxy-N-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate);
N2-furfuryl-deoxyguanosine-5'-monophosphate
ZINC: ZINC000263620347
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).