BioLiP

PDB

BioLiP

PDB CCD ID:

SWW

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O3 S

InChI:

InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m1/s1

InChIKey:

MWFRVMDVLYIXJF-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CSCCO)C(O)=O
OpenEye OEToolkits 2.0.7	C(CSCC(C(=O)O)N)O
CACTVS 3.385	N[C@H](CSCCO)C(O)=O
OpenEye OEToolkits 2.0.7	C(CSC[C@H](C(=O)O)N)O

Name:

(2~{S})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid;
S-(2-hydroxyethyl)-D-cysteine

ZINC:

ZINC000006753336

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).