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	MLS000550953
Molecular formula	C24H27N3O6S2
IUPAC name	1,4-dioxane;N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
Molecular weight	517.615
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	None
Synonyms	AC1Q1IBV MolPort-001-801-031 CHEMBL1304031 SMR000145081 SR-01000492986-1 AKOS005614400 N-{4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide - 1,4-dioxane (1:1) HMS2536E20 SMR001496736 1,4-dioxane; N-{4-[4-(morpholine-4-sulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide MLS002581312 STK820793 N-{4-[4-(Morpholine-4-sulfonyl)-phenyl]-thiazol-2-yl}-benzamide; compound with [1,4]dioxane HMS3089A08 SR-01000492986 [ Show all ]
Inchi Key	AZWMCNGECWXGMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19N3O4S2.C4H8O2/c24-19(16-4-2-1-3-5-16)22-20-21-18(14-28-20)15-6-8-17(9-7-15)29(25,26)23-10-12-27-13-11-23;1-2-6-4-3-5-1/h1-9,14H,10-13H2,(H,21,22,24);1-4H2
PubChem CID	9551786
ChEMBL	CHEMBL1304031
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

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
18536	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
465147	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
18537	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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