BioLiP

PDB

BioLiP

PDB CCD ID:

ECX

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O2 S

InChI:

InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey:

ULXKXLZEOGLCRJ-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CCSCC(C(=O)O)N
OpenEye OEToolkits 1.7.0	CCSC[C@@H](C(=O)O)N
CACTVS 3.352	CCSC[C@H](N)C(O)=O
CACTVS 3.352	CCSC[CH](N)C(O)=O
ACDLabs 11.02	O=C(O)C(N)CSCC

Name:

S-ethyl-L-cysteine

ChEMBL:

CHEMBL60475

ZINC:

ZINC000002015711

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).