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

NameCHEMBL240866
Molecular formulaC22H22ClN3O3S
IUPAC nameN-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-methylpyridin-3-yl)amino]acetamide
Molecular weight443.946
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsN/A
Inchi KeyBEYXVJNYFYLBFA-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22ClN3O3S/c1-16-5-11-20(12-6-16)30(28,29)26(21-4-3-13-24-17(21)2)15-22(27)25-14-18-7-9-19(23)10-8-18/h3-13H,14-15H2,1-2H3,(H,25,27)
PubChem CID44439620
ChEMBLCHEMBL240866
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22053Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402

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