BioLiP

PDB

BioLiP

PDB CCD ID:

FFL

Number of entries in BioLiP:

Chemical formula:

C6 H11 F2 N O2

InChI:

InChI=1S/C6H11F2NO2/c7-2-4(3-8)1-5(9)6(10)11/h4-5H,1-3,9H2,(H,10,11)/t5-/m0/s1

InChIKey:

UFUPPGKUXMRROI-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C([C@@H](C(=O)O)N)C(CF)CF
CACTVS 3.385	N[C@@H](CC(CF)CF)C(O)=O
CACTVS 3.385	N[CH](CC(CF)CF)C(O)=O
OpenEye OEToolkits 2.0.7	C(C(CF)CF)C(C(=O)O)N

Name:

5,5'-difluoroleucines;
(2S)-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid

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).