BioLiP

PDB

BioLiP

PDB CCD ID:

LLF

Number of entries in BioLiP:

Chemical formula:

C10 H13 F2 N2 O5 P

InChI:

InChI=1S/C10H13F2N2O5P/c1-6-10(15)8(3-13-4-9(11)12)7(2-14-6)5-19-20(16,17)18/h2-3,9,15H,4-5H2,1H3,(H2,16,17,18)/b13-3+

InChIKey:

OXVHZSPVJUCFDH-QLKAYGNNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c(c(c(cn1)COP(=O)(O)O)C=NCC(F)F)O
ACDLabs 10.04	FC(F)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O
CACTVS 3.341	Cc1ncc(CO[P](O)(O)=O)c(C=NCC(F)F)c1O

Name:

(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
(E)-N-(2,2-DIFLUOROETHYL)PYRIDOXIMINE-5'-PHOSPHATE

ZINC:

ZINC000036470925

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).