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	MLS000717658
Molecular formula	C19H21N3O3S
IUPAC name	[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
Molecular weight	371.455
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	ASN 07461077 SR-01000345418 CHEMBL1520936 [2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate 4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [2-(tert-butylamino)-2-oxo-1-(3-pyridinyl)ethyl] ester AKOS000740069 BDBM72509 SR-01000345418-1 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid [2-(tert-butylamino)-2-keto-1-(3-pyridyl)ethyl] ester cid_3228539 AKOS030481893 SMR000287462 [2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate AC1MLTY7 HMS2694A07 [ Show all ]
Inchi Key	ACQMPWQVUZNNHF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N3O3S/c1-19(2,3)21-17(23)16(12-6-5-8-20-11-12)25-18(24)14-10-15-13(22(14)4)7-9-26-15/h5-11,16H,1-4H3,(H,21,23)
PubChem CID	3228539
ChEMBL	CHEMBL1520936
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
1798	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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