BioLiP

PDB

BioLiP

PDB CCD ID:

51T

Number of entries in BioLiP:

Chemical formula:

C9 H8 F3 N O3

InChI:

InChI=1S/C9H8F3NO3/c10-4-2-6(14)8(12)7(11)3(4)1-5(13)9(15)16/h2,5,14H,1,13H2,(H,15,16)/t5-/m0/s1

InChIKey:

LVKGBSFEYFVENX-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1c(c(c(c(c1F)CC(C(=O)O)N)F)F)O
ACDLabs 12.01	NC(Cc1c(cc(c(c1F)F)O)F)C(=O)O
CACTVS 3.385	N[CH](Cc1c(F)cc(O)c(F)c1F)C(O)=O
OpenEye OEToolkits 1.9.2	c1c(c(c(c(c1F)C[C@@H](C(=O)O)N)F)F)O
CACTVS 3.385	N[C@@H](Cc1c(F)cc(O)c(F)c1F)C(O)=O

Name:

2,3,6-trifluoro-L-tyrosine

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).