BioLiP

PDB

BioLiP

PDB CCD ID:

T2C

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O2 S

InChI:

InChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1

InChIKey:

ULSZVNJBVJWEJE-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1NCCS1
CACTVS 3.385	OC(=O)[C@H]1NCCS1
ACDLabs 12.01	C1(C(O)=O)NCCS1
OpenEye OEToolkits 2.0.7	C1CS[C@H](N1)C(=O)O
OpenEye OEToolkits 2.0.7	C1CSC(N1)C(=O)O

Name:

(2S)-1,3-thiazolidine-2-carboxylic acid

ChEMBL:

CHEMBL3786701

ZINC:

ZINC000002001726

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).