BioLiP

PDB

BioLiP

PDB CCD ID:

PF5

Number of entries in BioLiP:

Chemical formula:

C9 H6 F5 N O2

InChI:

InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1

InChIKey:

YYTDJPUFAVPHQA-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O
OpenEye OEToolkits 1.5.0	C(c1c(c(c(c(c1F)F)F)F)F)C(C(=O)O)N
OpenEye OEToolkits 1.5.0	C(c1c(c(c(c(c1F)F)F)F)F)[C@@H](C(=O)O)N
CACTVS 3.341	N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O
ACDLabs 10.04	Fc1c(c(F)c(F)c(F)c1F)CC(C(=O)O)N

Name:

2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE;
FLUORINATED PHENYLALANINE

ZINC:

ZINC000002515995

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).