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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Prostaglandin E2 receptor EP2 subtype
Species	Homo sapiens (Human)
Gene	PTGER2
Synonym	PGE receptor EP2 subtype PGE2 receptor EP2 subtype prostaglandin E receptor 2 (subtype EP2), 53kDa Prostanoid EP2 receptor Ptger-ep2 EP2 receptor [ Show all ]
Disease	Osteoporosis Pulmonary arterial hypertension Miscarriage Medical abortion Immune disorder Glaucoma Solid tumours Endometriosis Diabetic foot ulcer Cancer [ Show all ]
Length	358
Amino acid sequence	MGNASNDSQSEDCETRQWLPPGESPAISSVMFSAGVLGNLIALALLARRWRGDVGCSAGRRSSLSLFHVLVTELVFTDLLGTCLISPVVLASYARNQTLVALAPESRACTYFAFAMTFFSLATMLMLFAMALERYLSIGHPYFYQRRVSRSGGLAVLPVIYAVSLLFCSLPLLDYGQYVQYCPGTWCFIRHGRTAYLQLYATLLLLLIVSVLACNFSVILNLIRMHRRSRRSRCGPSLGSGRGGPGARRRGERVSMAEETDHLILLAIMTITFAVCSLPFTIFAYMNETSSRKEKWDLQALRFLSINSIIDPWVFAILRPPVLRLMRSVLCCRISLRTQDATQTSCSTQSDASKQADL
UniProt	P43116
Protein Data Bank	N/A
GPCR-HGmod model	P43116
3D structure model	This predicted structure model is from GPCR-EXP P43116.
BioLiP	N/A
Therapeutic Target Database	T38529
ChEMBL	CHEMBL1881
IUPHAR	341
DrugBank	BE0000368

Ligand

Name	MLS000553986
Molecular formula	C22H17ClFN5O5S3
IUPAC name	3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-6-fluoro-1-benzothiophene-2-carboxamide
Molecular weight	582.036
Hydrogen bond acceptor	11
Hydrogen bond donor	3
XlogP	5.3
Synonyms	3-chloranyl-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-6-fluoranyl-1-benzothiophene-2-carboxamide BDBM50207 ZINC3094456 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]-6-fluoro-benzothiophene-2-carboxamide cid_3106024 AKOS000584518 Oprea1_140624 3-chloro-N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-6-fluoro-1-benzothiophene-2-carboxamide 4-[3-(3-Chloro-6-fluoro-benzo[b]thiophene-2-carbonyl)-thioureido]-N-(2,6-dimethoxy-pyrimidin-4-yl)-benzenesulfonamide MCULE-9743641591 BAS 00411315 SMR000171429 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-6-fluoro-1-benzothiophene-2-carboxamide CHEMBL1550812 AC1MJ3Q9 [ Show all ]
Inchi Key	BLHQRAGSVRXADJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H17ClFN5O5S3/c1-33-17-10-16(26-21(27-17)34-2)29-37(31,32)13-6-4-12(5-7-13)25-22(35)28-20(30)19-18(23)14-8-3-11(24)9-15(14)36-19/h3-10H,1-2H3,(H,26,27,29)(H2,25,28,30,35)
PubChem CID	3106024
ChEMBL	CHEMBL1550812
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Kb	108.0 nM	PMID23914286	ChEMBL

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