BioLiP

PDB

BioLiP

PDB CCD ID:

FY3

Number of entries in BioLiP:

Chemical formula:

C9 H8 F3 N O3

InChI:

InChI=1S/C9H8F3NO3/c10-4-1-3(2-5(13)9(15)16)6(11)7(12)8(4)14/h1,5,14H,2,13H2,(H,15,16)/t5-/m0/s1

InChIKey:

AUJOGVIKYBGMRE-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](Cc1cc(F)c(O)c(F)c1F)C(O)=O
ACDLabs 12.01	NC(C(=O)O)Cc1cc(F)c(c(c1F)F)O
CACTVS 3.385	N[C@@H](Cc1cc(F)c(O)c(F)c1F)C(O)=O
OpenEye OEToolkits 1.9.2	c1c(c(c(c(c1F)O)F)F)CC(C(=O)O)N
OpenEye OEToolkits 1.9.2	c1c(c(c(c(c1F)O)F)F)C[C@@H](C(=O)O)N

Name:

2,3,5-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).