BioLiP

PDB

BioLiP

PDB CCD ID:

6FL

Number of entries in BioLiP:

Chemical formula:

C6 H7 F6 N O2

InChI:

InChI=1S/C6H7F6NO2/c7-5(8,9)3(6(10,11)12)1-2(13)4(14)15/h2-3H,1,13H2,(H,14,15)/t2-/m0/s1

InChIKey:

MNZLMQYCEWHPPS-REOHCLBHSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	FC(F)(F)C(CC(N)C(=O)O)C(F)(F)F
OpenEye OEToolkits 1.7.2	C([C@@H](C(=O)O)N)C(C(F)(F)F)C(F)(F)F
CACTVS 3.370	N[CH](CC(C(F)(F)F)C(F)(F)F)C(O)=O
CACTVS 3.370	N[C@@H](CC(C(F)(F)F)C(F)(F)F)C(O)=O
OpenEye OEToolkits 1.7.2	C(C(C(=O)O)N)C(C(F)(F)F)C(F)(F)F

Name:

5,5,5,5',5',5'-hexafluoro-L-leucine

ZINC:

ZINC000002560328

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).