SEQ2FUN

BioLiP

PDB CCD ID: A1MA9
Number of entries in BioLiP: 0
Chemical formula: C11 H12 F4 N5 O7 P
InChI: InChI=1S/C11H12F4N5O7P/c12-3-5(21)2(1-26-28(23,24)25)27-8(3)20-6-4(7(22)19-10(16)18-6)17-9(20)11(13,14)15/h2-3,5,8,21H,1H2,(H2,23,24,25)(H3,16,18,19,22)/t2-,3-,5-,8-/m1/s1
InChIKey: UZSABTRADQLKAX-YOUMAJLPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2C(F)(F)F)C(=O)NC(=N3)N)F)O)OP(=O)(O)O
CACTVS 3.385NC1=Nc2n([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3F)c(nc2C(=O)N1)C(F)(F)F
OpenEye OEToolkits 2.0.7C(C1C(C(C(O1)n2c3c(nc2C(F)(F)F)C(=O)NC(=N3)N)F)O)OP(=O)(O)O
CACTVS 3.385NC1=Nc2n([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3F)c(nc2C(=O)N1)C(F)(F)F
Name:8-CF3-2'F-riboguanosine monophosphate;
[(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-8-(trifluoromethyl)-1~{H}-purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
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).