BioLiP

PDB

BioLiP

PDB CCD ID:

FLA

Number of entries in BioLiP:

Chemical formula:

C3 H4 F3 N O2

InChI:

InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m0/s1

InChIKey:

HMJQKIDUCWWIBW-SFOWXEAESA-N

SMILES:

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

Name:

TRIFLUOROALANINE

DrugBank:

DB03794

ZINC:

ZINC000002047325

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).