BioLiP

PDB

BioLiP

PDB CCD ID:

6MW

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O2 S

InChI:

InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-4,7-8,11H,5H2,(H,12,13)/t7-,8+/m1/s1

InChIKey:

IYYUJCKJSSPXQQ-SFYZADRCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CS[CH](N1)c2ccncc2
OpenEye OEToolkits 2.0.4	c1cnccc1[C@H]2N[C@H](CS2)C(=O)O
CACTVS 3.385	OC(=O)[C@H]1CS[C@H](N1)c2ccncc2
OpenEye OEToolkits 2.0.4	c1cnccc1C2NC(CS2)C(=O)O
ACDLabs 12.01	c1c(ccnc1)C2SCC(C(O)=O)N2

Name:

(2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid

ZINC:

ZINC000008450255

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).