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	MLS000718851
Molecular formula	C22H23NO6S
IUPAC name	dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate
Molecular weight	429.487
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.1
Synonyms	AC1LOWQ4 dimethyl 1-(3,4-dimethoxybenzyl)-4-thien-2-yl-1,4-dihydropyridine-3,5-dicarboxylate SMR000291119 BDBM43530 MCULE-7449585585 ST038115 4-(2-thienyl)-1-veratryl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester cid_1272579 MolPort-000-907-761 AKOS000663071 dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate SR-01000471741 methyl 1-[(3,4-dimethoxyphenyl)methyl]-5-(methoxycarbonyl)-4-(2-thienyl)-1,4-d ihydropyridine-3-carboxylate STK036079 A2558/0108964 dimethyl 1-(3,4-dimethoxybenzyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate SCHEMBL3324579 BAS 04378482 HMS2706P16 SR-01000471741-1 1-[(3,4-dimethoxyphenyl)methyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester CHEMBL1371761 ZINC1087776 [ Show all ]
Inchi Key	ABELRIIRVNKAGM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23NO6S/c1-26-17-8-7-14(10-18(17)27-2)11-23-12-15(21(24)28-3)20(19-6-5-9-30-19)16(13-23)22(25)29-4/h5-10,12-13,20H,11H2,1-4H3
PubChem CID	1272579
ChEMBL	CHEMBL1371761
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
773	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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