Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	MLS000062663
Molecular formula	C15H9NO2S3
IUPAC name	3-(1,3-benzothiazol-2-ylsulfanyl)-1-benzothiophene 1,1-dioxide
Molecular weight	331.422
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.9
Synonyms	3-(1,3-benzothiazol-2-ylthio)-1-benzothiophene 1,1-dioxide SMR000071200 HMS1681I07 ST092382 2-[(1,1-dioxido-1-benzothiophen-3-yl)sulfanyl]-1,3-benzothiazole BAS 03295946 MLS-0010363.0001 3-(1,3-benzothiazol-2-ylthio)benzothiophene 1,1-dioxide CHEMBL1370884 SR-01000499549 2-(1,1-Dioxo-1H-1lambda6-benzo[b]thiophen-3-ylsulfanyl)-benzothiazole AC1LDTDI HMS2355N03 STK089167 3-(1,3-benzothiazol-2-ylsulfanyl)-1-benzothiophene 1,1-dioxide BDBM37114 3-benzothiazol-2-ylthiobenzo[b]thiole-1,1-dione cid_701067 SR-01000499549-1 2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzothiazole AKOS000639850 MCULE-8619684140 ZINC81590 [ Show all ]
Inchi Key	BKZOIKUBPIWBKV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H9NO2S3/c17-21(18)9-13(10-5-1-4-8-14(10)21)20-15-16-11-6-2-3-7-12(11)19-15/h1-9H
PubChem CID	701067
ChEMBL	CHEMBL1370884
IUPHAR	N/A
BindingDB	37114
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
26331	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
26329	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
26330	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
26332	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218