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

NameCHEMBL1813282
Molecular formulaC28H25NO6
IUPAC name2-[1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2-methylbenzoyl]-2-methylindol-3-yl]acetic acid
Molecular weight471.509
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50350359
SCHEMBL6103396
Inchi KeyLHONMOULGYVETO-HXUWFJFHSA-N
Inchi IDInChI=1S/C28H25NO6/c1-17-13-19(33-15-20-16-34-25-9-5-6-10-26(25)35-20)11-12-21(17)28(32)29-18(2)23(14-27(30)31)22-7-3-4-8-24(22)29/h3-13,20H,14-16H2,1-2H3,(H,30,31)/t20-/m1/s1
PubChem CID56664920
ChEMBLCHEMBL1813282
IUPHARN/A
BindingDB50350359
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
187709Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
187708Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357

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