SEQ2FUN

BioLiP

PDB CCD ID: UF2
Number of entries in BioLiP: 0
Chemical formula: C9 H12 F N2 O8 P
InChI: InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1
InChIKey: RTGGYPQTXNSBPD-PXBUCIJWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
ACDLabs 12.01O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O
OpenEye OEToolkits 1.7.2C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)F
OpenEye OEToolkits 1.7.2C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F
CACTVS 3.370O[C@H]1[C@H](F)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
Name:1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione;
2'-fluoro-2'-deoxyuridine
ChEMBL: CHEMBL403945
ZINC: ZINC000029043591
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).