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

NameSCHEMBL14060375
Molecular formulaC21H23ClN2O3
IUPAC name2-[(2R)-2-[(3-chlorophenoxy)methyl]morpholin-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
Molecular weight386.876
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM186932
US9079895, 22r
Inchi KeyAPCQYPHUPXTFSO-LJQANCHMSA-N
Inchi IDInChI=1S/C21H23ClN2O3/c22-17-5-3-6-18(12-17)27-15-19-13-23(10-11-26-19)14-21(25)24-9-8-16-4-1-2-7-20(16)24/h1-7,12,19H,8-11,13-15H2/t19-/m1/s1
PubChem CID71061785
ChEMBLN/A
IUPHARN/A
BindingDB186932
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5575975-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
5576005-hydroxytryptamine receptor 2AP35363Htr2aMus musculus (Mouse)471
5575995-hydroxytryptamine receptor 2BQ02152Htr2bMus musculus (Mouse)479
557598D(4) dopamine receptorP51436Drd4Mus musculus (Mouse)387

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