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

NameRO 116 1148
Molecular formulaC19H28N2O3
IUPAC nameN-[(1-butylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
Molecular weight332.444
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.9
SynonymsSCHEMBL17193155
GTPL252
RO 116-1148
CHEMBL182590
N-[(1-butylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
[ Show all ]
Inchi KeyVBFBEYXWJLASJA-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H28N2O3/c1-2-3-9-21-10-7-15(8-11-21)14-20-19(22)16-5-4-6-17-18(16)24-13-12-23-17/h4-6,15H,2-3,7-14H2,1H3,(H,20,22)
PubChem CID44391713
ChEMBLCHEMBL182590
IUPHAR252
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3507205-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
5550375-hydroxytryptamine receptor 4P97288Htr4Mus musculus (Mouse)388

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