BioLiP

PDB

BioLiP

PDB CCD ID:

V7W

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O2 S2

InChI:

InChI=1S/C8H9NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)/t5-,7-/m0/s1

InChIKey:

ZUDFHYZUQCNUJF-FSPLSTOPSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CS[CH](N1)c2sccc2
CACTVS 3.385	OC(=O)[C@@H]1CS[C@H](N1)c2sccc2
OpenEye OEToolkits 2.0.7	c1cc(sc1)C2NC(CS2)C(=O)O
OpenEye OEToolkits 2.0.7	c1cc(sc1)[C@H]2N[C@@H](CS2)C(=O)O

Name:

(2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid

ZINC:

ZINC000000054092

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).