BioLiP

PDB

BioLiP

PDB CCD ID:

TDF

Number of entries in BioLiP:

Chemical formula:

C10 H10 F3 N O2

InChI:

InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1

InChIKey:

CRFFPDBJLGAGQL-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@H](Cc1ccc(cc1)C(F)(F)F)C(O)=O
CACTVS 3.370	N[CH](Cc1ccc(cc1)C(F)(F)F)C(O)=O
OpenEye OEToolkits 1.7.2	c1cc(ccc1CC(C(=O)O)N)C(F)(F)F
OpenEye OEToolkits 1.7.2	c1cc(ccc1C[C@H](C(=O)O)N)C(F)(F)F
ACDLabs 12.01	FC(F)(F)c1ccc(cc1)CC(C(=O)O)N

Name:

4-(trifluoromethyl)-D-phenylalanine

ZINC:

ZINC000002149431

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).