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

NameCHEMBL3398220
Molecular formulaC31H30N2O5
IUPAC name2-[[6-[[4-(3-methoxyphenyl)-3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
Molecular weight510.59
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50103408
Inchi KeyDXCNYEIWUOLVFU-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H30N2O5/c1-20-9-12-22(13-10-20)31-27(24-5-3-7-25(16-24)37-2)17-29(34)33(32-31)18-21-11-14-26-23(15-21)6-4-8-28(26)38-19-30(35)36/h3-10,12-13,16-17,21H,11,14-15,18-19H2,1-2H3,(H,35,36)
PubChem CID118727299
ChEMBLCHEMBL3398220
IUPHARN/A
BindingDB50103408
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
444478Prostacyclin receptorP43253PtgirRattus norvegicus (Rat)416
444479Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
444480Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359

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