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	SMR000153080
Molecular formula	C23H27F3N4O3S
IUPAC name	3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
Molecular weight	496.549
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.6
Synonyms	MolPort-005-776-770 3-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propionamide HMS2162O15 ZINC8666050 749914-63-4 AKOS007981990 MLS000565958 3-[5-(diethylsulfamoyl)-1-ethyl-2-benzimidazolyl]-N-[3-(trifluoromethyl)phenyl]propanamide CHEMBL1374931 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide AB00457291-04 HMS3317B09 BDBM61022 MLS001332780 3-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide cid_3387518 Z28168851 AC1MPM9C MCULE-8021707137 3-[5-(diethylsulfamoyl)-1-ethyl-1H-1,3-benzodiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide [ Show all ]
Inchi Key	AMOYQXOTIPSJNI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27F3N4O3S/c1-4-29(5-2)34(32,33)18-10-11-20-19(15-18)28-21(30(20)6-3)12-13-22(31)27-17-9-7-8-16(14-17)23(24,25)26/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,27,31)
PubChem CID	3387518
ChEMBL	CHEMBL1374931
IUPHAR	N/A
BindingDB	61022
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
9110	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
9111	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
9112	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
463989	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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