SEQ2FUN

BioLiP

PDB CCD ID: GPC
Number of entries in BioLiP: 1
Chemical formula: C19 H24 F N8 O11 P
InChI: InChI=1S/C19H24FN8O11P/c20-9-13(6(3-29)37-16(9)28-5-23-10-14(28)25-18(22)26-15(10)32)39-40(34,35)36-4-7-11(30)12(31)17(38-7)27-2-1-8(21)24-19(27)33/h1-2,5-7,9,11-13,16-17,29-31H,3-4H2,(H,34,35)(H2,21,24,33)(H3,22,25,26,32)/t6-,7-,9-,11-,12-,13-,16-,17-/m1/s1
InChIKey: ZSBUMMSBXYRQAK-FOJQSULLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)CO)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N
ACDLabs 10.04O=C5NC(=Nc1c5ncn1C4OC(CO)C(OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C=C2)C(O)C3O)C4F)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O[P@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N5C=CC(=NC5=O)N)[C@H]3F
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=NC5=O)N)[CH]3F
Name:2'-FLUOROGUANYLYL-(3'-5')-PHOSPHOCYTIDINE
ZINC: ZINC000058631636
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).