BioLiP

PDB

BioLiP

PDB CCD ID:

OBF

Number of entries in BioLiP:

Chemical formula:

C4 H7 F2 N O2

InChI:

InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)/t2-/m0/s1

InChIKey:

VIUCNIMDPZQXAD-REOHCLBHSA-N

SMILES:

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

Name:

(2S)-2-amino-4,4-difluorobutanoic acid

ZINC:

ZINC000037756049

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).