BioLiP

PDB

BioLiP

PDB CCD ID:

00B

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2 S

InChI:

InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m1/s1

InChIKey:

PMQQFSDIECYOQV-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC1(C)SCN[C@@H]1C(O)=O
ACDLabs 12.01	O=C(O)C1NCSC1(C)C
CACTVS 3.370	CC1(C)SCN[CH]1C(O)=O
OpenEye OEToolkits 1.7.0	CC1([C@H](NCS1)C(=O)O)C
OpenEye OEToolkits 1.7.0	CC1(C(NCS1)C(=O)O)C

Name:

(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

ChEMBL:

CHEMBL1229504

ZINC:

ZINC000005105765

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).