BioLiP

PDB

BioLiP

PDB CCD ID:

CME

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O3 S2

InChI:

InChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1

InChIKey:

YPUBRSXDQSFQBA-BYPYZUCNSA-N

SMILES:

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

Name:

S,S-(2-HYDROXYETHYL)THIOCYSTEINE

DrugBank:

DB04530

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).