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 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

You can:

Ligand

NameCHEMBL275245
Molecular formulaC23H33NO5
IUPAC name7-[(2R)-2-[(E)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
Molecular weight403.519
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.2
Synonyms7-{(R)-2-[(E)-3-Hydroxy-4-(3-methoxymethyl-phenyl)-but-1-enyl]-5-oxo-pyrrolidin-1-yl}-heptanoic acid
BDBM50125416
7-[(2R)-2beta-[3-Hydroxy-4-[3-(methoxymethyl)phenyl]-1-butenyl]-5-oxopyrrolizino]heptanoic acid
Inchi KeyASGXLBAYRUCXJB-HZGHLMDASA-N
Inchi IDInChI=1S/C23H33NO5/c1-29-17-19-8-6-7-18(15-19)16-21(25)12-10-20-11-13-22(26)24(20)14-5-3-2-4-9-23(27)28/h6-8,10,12,15,20-21,25H,2-5,9,11,13-14,16-17H2,1H3,(H,27,28)/b12-10+/t20-,21?/m0/s1
PubChem CID44269523
ChEMBLCHEMBL275245
IUPHARN/A
BindingDB50125416
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13140Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
13143Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
13139Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
13137Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
13138Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
13142Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
13136Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
13141Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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