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

NameCHEMBL482018
Molecular formulaC25H21Cl2F3N2O4S
IUPAC name(E)-3-[1-[(2,3-dichlorophenyl)methyl]-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-7-yl]-N-(2,4,5-trifluorophenyl)sulfonylprop-2-enamide
Molecular weight573.408
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50255126
3-(1-(2,3-dichlorobenzyl)-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
Inchi KeyHBOYIHIXTSNOBN-BQYQJAHWSA-N
Inchi IDInChI=1S/C25H21Cl2F3N2O4S/c1-25-9-3-5-14(24(25)32(22(34)12-25)13-15-4-2-6-16(26)23(15)27)7-8-21(33)31-37(35,36)20-11-18(29)17(28)10-19(20)30/h2,4,6-8,10-11H,3,5,9,12-13H2,1H3,(H,31,33)/b8-7+
PubChem CID44570668
ChEMBLCHEMBL482018
IUPHARN/A
BindingDB50255126
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
110735Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
110737Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
110736Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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