BioLiP

PDB

BioLiP

PDB CCD ID:

41K

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O4 S

InChI:

InChI=1S/C6H9NO4S/c1-6(5(10)11)7-3(2-12-6)4(8)9/h3,7H,2H2,1H3,(H,8,9)(H,10,11)/t3-,6+/m0/s1

InChIKey:

JCAKCGQZNBEITC-BBIVZNJYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@]1(N[C@@H](CS1)C(O)=O)C(O)=O
CACTVS 3.385	C[C]1(N[CH](CS1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2	CC1(NC(CS1)C(=O)O)C(=O)O
OpenEye OEToolkits 1.9.2	C[C@]1(N[C@@H](CS1)C(=O)O)C(=O)O
ACDLabs 12.01	O=C(O)C1(SCC(C(=O)O)N1)C

Name:

(2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid

ZINC:

ZINC000001701053

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).