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

NameCHEMBL1743909
Molecular formulaC20H25Cl2NO6
IUPAC namemethyl 2-[4-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethoxy]phenoxy]acetate;hydrochloride
Molecular weight446.321
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyDSQLGSHHPYGONN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24ClNO6.ClH/c1-25-20(24)14-27-17-8-6-16(7-9-17)26-11-10-22-12-15(23)13-28-19-5-3-2-4-18(19)21;/h2-9,15,22-23H,10-14H2,1H3;1H
PubChem CID54584768
ChEMBLCHEMBL1743909
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
67858Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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