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

Namecloprostenol
Molecular formulaC22H29ClO6
IUPAC name(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Molecular weight424.918
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.7
SynonymsX2624
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
5-Heptenoic acid, 7-((1R,2R,3R,5S)-2-((1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl)-, (5Z)-
55028-72-3 (mono-hydrochloride salt)
BDBM50085910
[ Show all ]
Inchi KeyVJGGHXVGBSZVMZ-QIZQQNKQSA-N
Inchi IDInChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
PubChem CID5311053
ChEMBLCHEMBL37853
IUPHAR1894
BindingDB50085910
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
356497Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
356496Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
356495Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
356498Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
356493Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
356500Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
356494Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
356499Prostaglandin F2-alpha receptorP37289PTGFRBos taurus (Bovine)362
356492Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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