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

NameCHEMBL2037290
Molecular formulaC28H27N3O5S2
IUPAC name2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
Molecular weight549.66
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.7
SynonymsSCHEMBL14270365
BDBM50385137
Inchi KeyLBKVVYLADFVUQO-BPFVEMAFSA-N
Inchi IDInChI=1S/C28H27N3O5S2/c1-17-4-2-7-23-25(17)30-26(36-23)19-6-3-5-18(14-19)15-21(32)10-8-20-9-11-24(33)31(20)12-13-37-28-29-22(16-38-28)27(34)35/h2-8,10,14,16,20-21,32H,9,11-13,15H2,1H3,(H,34,35)/b10-8+/t20-,21+/m0/s1
PubChem CID58932678
ChEMBLCHEMBL2037290
IUPHARN/A
BindingDB50385137
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
183324Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
183323Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
183326Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
183321Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
183322Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488
183325Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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