BioLiP

PDB

BioLiP

PDB CCD ID:

ESD

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O2 S

InChI:

InChI=1S/C4H9NO2S/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7)

InChIKey:

HMZKKJDOCRYTTH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CSCC(=O)O)N
CACTVS 3.341	NCCSCC(O)=O
ACDLabs 10.04	O=C(O)CSCCN

Name:

(2-AMINO-ETHYLSULFANYL)-ACETIC ACID

ZINC:

ZINC000006360463

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).