BioLiP

PDB

BioLiP

PDB CCD ID:

EFC

Number of entries in BioLiP:

Chemical formula:

C5 H10 F N O2 S2

InChI:

InChI=1S/C5H10FNO2S2/c6-1-2-10-11-3-4(7)5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/m0/s1

InChIKey:

KQUQTCUPTPNNHF-BYPYZUCNSA-N

SMILES:

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

Name:

S,S-(2-FLUOROETHYL)THIOCYSTEINE

ZINC:

ZINC000006360464

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).