BioLiP

PDB

BioLiP

PDB CCD ID:

S5G

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O S2

InChI:

InChI=1S/C6H12N2OS2/c1-6(2)4(7-9)11-5(10)8(6)3/h4,7,9H,1-3H3/t4-/m1/s1

InChIKey:

JXYKLMIZMNTBPT-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C(=S)S[C@@H](NO)C1(C)C
OpenEye OEToolkits 2.0.6	CC1(C(SC(=S)N1C)NO)C
OpenEye OEToolkits 2.0.6	CC1([C@@H](SC(=S)N1C)NO)C
CACTVS 3.385	CN1C(=S)S[CH](NO)C1(C)C

Name:

(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione

ZINC:

ZINC000000333336

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).