BioLiP

PDB

BioLiP

PDB CCD ID:

MF3

Number of entries in BioLiP:

Chemical formula:

C5 H8 F3 N O2 S

InChI:

InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1

InChIKey:

YLJLTSVBCXYTQK-VKHMYHEASA-N

SMILES:

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

Name:

2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID;
TRIFLUOROMETHIONINE

DrugBank:

DB03799

ZINC:

ZINC000001698833

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).