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	MLS000325599
Molecular formula	C20H16F3NO2S2
IUPAC name	N-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-carboxamide
Molecular weight	423.468
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.6
Synonyms	250714-49-9 KS-00002XBG N-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-carboxamide BDBM72096 MolPort-002-850-460 REGID_for_CID_1480226 cid_1480226 N-(4-methoxyphenyl)-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thiophene-2-carboxamide ZINC1393151 AC1LS01O MCULE-4062546155 N-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylthio]-2-thiophenecarboxamide N-(4-Methoxyphenyl)-3-((3-(trifluoromethyl)benzyl)sulfanyl)-2-thiophenecarboxamide SMR000169987 10G-346S HMS2433K03 N-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)benzyl]thio]thiophene-2-carboxamide AKOS005074464 N-(4-methoxyphenyl)-3-{[3-(trifluoromethyl)benzyl]sulfanyl}-2-thiophenecarboxamide CHEMBL1422741 N-(4-methoxyphenyl)-3-(3-(trifluoromethyl)benzylthio)thiophene-2-carboxamide ZB017059 [ Show all ]
Inchi Key	AIHKWIXQHKFLRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H16F3NO2S2/c1-26-16-7-5-15(6-8-16)24-19(25)18-17(9-10-27-18)28-12-13-3-2-4-14(11-13)20(21,22)23/h2-11H,12H2,1H3,(H,24,25)
PubChem CID	1480226
ChEMBL	CHEMBL1422741
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
6216	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
6215	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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