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

NameCHEMBL382197
Molecular formulaC28H31NO4S
IUPAC name5-[3-[(2S)-2-[3-hydroxy-4-(3-phenylphenyl)butyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid
Molecular weight477.619
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50181290
SCHEMBL4992003
5-{3-[(S)-2-(4-biphenyl-3-yl-3-hydroxy-butyl)-5-oxo-pyrrolidin-1-yl]-propyl}-thiophene-2-carboxylic acid
Inchi KeyBCBYBNIDJGIOQL-UXMRNZNESA-N
Inchi IDInChI=1S/C28H31NO4S/c30-24(19-20-6-4-9-22(18-20)21-7-2-1-3-8-21)13-11-23-12-16-27(31)29(23)17-5-10-25-14-15-26(34-25)28(32)33/h1-4,6-9,14-15,18,23-24,30H,5,10-13,16-17,19H2,(H,32,33)/t23-,24?/m0/s1
PubChem CID44409910
ChEMBLCHEMBL382197
IUPHARN/A
BindingDB50181290
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20027Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
20028Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
20029Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
20026Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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