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

NameCHEMBL1829809
Molecular formulaC26H32ClNO4S
IUPAC name4-chloro-N-[2-[3-[[3-ethyl-4-(2-methylpropoxy)-2-oxocyclopent-3-en-1-yl]methyl]phenyl]ethyl]benzenesulfonamide
Molecular weight490.055
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.9
Synonyms4-Chloro-N-(3-((3-ethyl-4-isobutoxy-2-oxocyclopent-3-en-1-yl)methyl)phenethyl)-benzenesulfonamide
SCHEMBL14321530
BDBM50353644
PUALCUXULIBFJD-UHFFFAOYSA-N
Inchi KeyPUALCUXULIBFJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32ClNO4S/c1-4-24-25(32-17-18(2)3)16-21(26(24)29)15-20-7-5-6-19(14-20)12-13-28-33(30,31)23-10-8-22(27)9-11-23/h5-11,14,18,21,28H,4,12-13,15-17H2,1-3H3
PubChem CID54757769
ChEMBLCHEMBL1829809
IUPHARN/A
BindingDB50353644
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
268834Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
268835Thromboxane A2 receptorP30987Tbxa2rMus musculus (Mouse)341

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