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	SMR000195611
Molecular formula	C24H22N2O5S
IUPAC name	N-(3-acetylphenyl)-4-[[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
Molecular weight	450.509
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.1
Synonyms	CHEMBL1971634 MLS003905462 N-(3-acetylphenyl)-4-{[(1E)-3-(3-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzenesulfonamide AKOS022097682 STL352632 HMS2280F06 MolPort-028-607-762 N-(3-acetylphenyl)-4-{[3-(3-methoxyphenyl)-3-oxo-1-propen-1-yl]amino}benzenesulfonamide ZINC102946832 MLS000574023 N-(3-acetylphenyl)-4-[[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide AC1LZG38 [ Show all ]
Inchi Key	HCARGNZBFXLZHW-BUHFOSPRSA-N
Inchi ID	InChI=1S/C24H22N2O5S/c1-17(27)18-5-3-7-21(15-18)26-32(29,30)23-11-9-20(10-12-23)25-14-13-24(28)19-6-4-8-22(16-19)31-2/h3-16,25-26H,1-2H3/b14-13+
PubChem CID	1921053
ChEMBL	CHEMBL1971634
IUPHAR	N/A
BindingDB	N/A
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
111090	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
111092	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
111089	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
111091	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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