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 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

NameCHEMBL2315055
Molecular formulaC26H18Cl3FN2O4S
IUPAC name6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide
Molecular weight579.848
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP7.0
SynonymsBDBM50424384
Inchi KeyLQPMZZIIOKLZQG-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H18Cl3FN2O4S/c27-18-6-9-22(10-7-18)37(34,35)32-26(33)24-3-1-2-21(31-24)13-17-12-19(28)8-11-25(17)36-15-16-4-5-20(29)14-23(16)30/h1-12,14H,13,15H2,(H,32,33)
PubChem CID71519482
ChEMBLCHEMBL2315055
IUPHARN/A
BindingDB50424384
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
194033Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
194037Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
194036Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
194035Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
194034Thromboxane A2 receptorP30987Tbxa2rMus musculus (Mouse)341

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417