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

NameCHEMBL197319
Molecular formulaC26H25NO5
IUPAC name2-[[6-(diphenylcarbamoyloxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
Molecular weight431.488
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50167891
{6-[(Diphenylcarbamoyloxy)-methyl]-5,6,7,8-tetrahydro-naphthalen-1-yloxy}-acetic acid
CDAMGZXJUYMJLP-UHFFFAOYSA-N
SCHEMBL7772466
[5-(carboxymethoxy)-1,2,3,4-tetrahydro-2-naphthyl]methyl N,N-diphenylcarbamate
Inchi KeyCDAMGZXJUYMJLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25NO5/c28-25(29)18-31-24-13-7-8-20-16-19(14-15-23(20)24)17-32-26(30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,19H,14-18H2,(H,28,29)
PubChem CID44402710
ChEMBLCHEMBL197319
IUPHARN/A
BindingDB50167891
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39098Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
39099Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
39102Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
39100Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
39101Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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