Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL1813120
Molecular formulaC29H28N2O5
IUPAC name2-[2-methyl-1-[2-methyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-3-yl]acetic acid
Molecular weight484.552
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.4
SynonymsSCHEMBL5644479
BDBM50350350
Inchi KeyCLCVZIUBJHRUGU-NRFANRHFSA-N
Inchi IDInChI=1S/C29H28N2O5/c1-18-14-20(35-17-21-16-30(3)26-10-6-7-11-27(26)36-21)12-13-22(18)29(34)31-19(2)24(15-28(32)33)23-8-4-5-9-25(23)31/h4-14,21H,15-17H2,1-3H3,(H,32,33)/t21-/m0/s1
PubChem CID10299717
ChEMBLCHEMBL1813120
IUPHARN/A
BindingDB50350350
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44624Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
44623Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357
44628Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
44627Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
44625Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
44621Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
44622Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366
44626Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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