BioLiP

PDB

BioLiP

PDB CCD ID:

WJZ

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O3 S

InChI:

InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1

InChIKey:

YTGJWQPHMWSCST-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](S)C(=O)NCC(O)=O
CACTVS 3.385	C[CH](S)C(=O)NCC(O)=O
OpenEye OEToolkits 1.7.6	CC(C(=O)NCC(=O)O)S
OpenEye OEToolkits 1.7.6	C[C@@H](C(=O)NCC(=O)O)S

Name:

TIOPRONIN;
THIOLA

ZINC:

ZINC000000155905

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).