BioLiP

PDB

BioLiP

PDB CCD ID:

SDC

Number of entries in BioLiP:

Chemical formula:

C5 H12 N2 O4 S2

InChI:

InChI=1S/C5H12N2O4S2/c6-4(5(8)9)3-12-1-2-13(7,10)11/h4H,1-3,6H2,(H,8,9)(H2,7,10,11)/t4-/m0/s1

InChIKey:

ZRCBQBJBRHIRRG-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CS(=O)(=O)N)SCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	C(CS(=O)(=O)N)SC[C@@H](C(=O)O)N
CACTVS 3.341	N[CH](CSCC[S](N)(=O)=O)C(O)=O
ACDLabs 10.04	O=S(=O)(N)CCSCC(N)C(=O)O
CACTVS 3.341	N[C@@H](CSCC[S](N)(=O)=O)C(O)=O

Name:

S-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINE

DrugBank:

DB02689

ZINC:

ZINC000005828870

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).