SEQ2FUN

BioLiP

PDB CCD ID: F2T
Number of entries in BioLiP: 0
Chemical formula: C9 H12 F N2 O7 P S
InChI: InChI=1S/C9H12FN2O7PS/c10-6-7(14)4(3-18-20(16,17)21)19-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1
InChIKey: GAVMOIRMDKJPDM-XVFCMESISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)S)O)F
CACTVS 3.385O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(S)=O)N2C=CC(=O)NC2=O
CACTVS 3.385O[C@H]1[C@@H](F)[C@@H](O[C@@H]1CO[P](O)(S)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.4C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)S)O)F
ACDLabs 12.01P(S)(=O)(OCC1OC(C(C1O)F)N2C(=O)NC(=O)C=C2)O
Name:2'-deoxy-2'-fluoro-5'-O-thiophosphonouridine
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).