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

You can:

Ligand

NameCHEMBL173811
Molecular formulaC19H31NO5S2
IUPAC name7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[3-hydroxy-4-(1,3-thiazol-2-ylsulfanyl)butyl]cyclopentyl]heptanoic acid
Molecular weight417.579
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP3.1
SynonymsBDBM50085915
7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiazol-2-ylsulfanyl)-butyl]-cyclopentyl}-heptanoic acid
9alpha,11alpha,15-Trihydroxy-17-(thiazole-2-yl)-18,19,20-trinor-17-thiaprostane-1-oic acid
Inchi KeyFNZKSJLLEXLFRT-MUOSFQKXSA-N
Inchi IDInChI=1S/C19H31NO5S2/c21-13(12-27-19-20-9-10-26-19)7-8-15-14(16(22)11-17(15)23)5-3-1-2-4-6-18(24)25/h9-10,13-17,21-23H,1-8,11-12H2,(H,24,25)/t13?,14-,15-,16+,17-/m1/s1
PubChem CID10740699
ChEMBLCHEMBL173811
IUPHARN/A
BindingDB50085915
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
83062Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
83057Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
83063Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
83059Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
83058Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
83060Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
83061Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
83056Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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