BioLiP

PDB

BioLiP

PDB CCD ID:

5EE

Number of entries in BioLiP:

Chemical formula:

C14 H10 Cl2 N2 O3 S4

InChI:

InChI=1S/C14H10Cl2N2O3S4/c15-9-4-3-8(6-10(9)16)7-11-13(19)18(14(22)24-11)17-25(20,21)12-2-1-5-23-12/h1-6,11,17H,7H2/t11-/m1/s1

InChIKey:

GAOOBYJHWAKZKU-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(sc1)S(=O)(=O)NN2C(=O)C(SC2=S)Cc3ccc(c(c3)Cl)Cl
ACDLabs 10.04	O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Cl)c(Cl)c2)c3sccc3
OpenEye OEToolkits 1.5.0	c1cc(sc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(c(c3)Cl)Cl
CACTVS 3.341	Clc1ccc(C[C@H]2SC(=S)N(N[S](=O)(=O)c3sccc3)C2=O)cc1Cl
CACTVS 3.341	Clc1ccc(C[CH]2SC(=S)N(N[S](=O)(=O)c3sccc3)C2=O)cc1Cl

Name:

5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE

DrugBank:

DB07169

ZINC:

ZINC000016051794

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).