BioLiP

PDB

BioLiP

PDB CCD ID:

FTY

Number of entries in BioLiP:

Chemical formula:

C10 H12 F2 N O5 P

InChI:

InChI=1S/C10H12F2NO5P/c11-10(12,19(16,17)18)7-3-1-6(2-4-7)5-8(13)9(14)15/h1-4,8H,5,13H2,(H,14,15)(H2,16,17,18)/t8-/m0/s1

InChIKey:

HRDUMKHDIFUQGB-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	c1cc(ccc1CC(C(=O)O)N)C(F)(F)P(=O)(O)O
OpenEye OEToolkits 1.5.0	c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P(=O)(O)O
CACTVS 3.341	N[CH](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(O)=O
ACDLabs 10.04	FC(F)(c1ccc(cc1)CC(N)C(=O)O)P(=O)(O)O

Name:

DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE

ChEMBL:

CHEMBL1232859

ZINC:

ZINC000008378980

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).