BioLiP

PDB

BioLiP

PDB CCD ID:

TFQ

Number of entries in BioLiP:

Chemical formula:

C11 H12 F3 N O2

InChI:

InChI=1S/C11H12F3NO2/c12-11(13,14)6-8-3-1-7(2-4-8)5-9(15)10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m0/s1

InChIKey:

VXIZYDKGLBPCAQ-VIFPVBQESA-N

SMILES:

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

Name:

4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE

DrugBank:

DB08617

ZINC:

ZINC000024981830

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).