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

NameCHEMBL123844
Molecular formulaC27H22O3
IUPAC name2-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]acetic acid
Molecular weight394.47
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.3
Synonyms(2''''-Benzyloxy-[1,1'';3'',1'''']terphenyl-2-yl)-acetic acid
BDBM50134520
2''-(Benzyloxy)-1,1':3',1''-terbenzene-2-acetic acid
Inchi KeyAMSJJJTTZPVHKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H22O3/c28-27(29)18-23-11-4-5-14-24(23)21-12-8-13-22(17-21)25-15-6-7-16-26(25)30-19-20-9-2-1-3-10-20/h1-17H,18-19H2,(H,28,29)
PubChem CID44349531
ChEMBLCHEMBL123844
IUPHARN/A
BindingDB50134520
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
9198Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
9199Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
9200Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
9197Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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