Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL1258452
Molecular formulaC18H28N2O3
IUPAC name(1-butylpiperidin-4-yl)methyl 4-amino-3-methoxybenzoate
Molecular weight320.433
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
Synonyms(1-butylpiperidin-4-yl)methyl 4-amino-3-methoxybenzoate
BDBM50327861
Inchi KeyDZZIAERGLDKTBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
PubChem CID49783415
ChEMBLCHEMBL1258452
IUPHARN/A
BindingDB50327861
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 37
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
731765-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
731855-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
731865-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
731595-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
731805-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
731815-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
731905-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
731795-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
731885-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
731725-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
731565-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
731655-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
73162Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
73167Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
73170Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
73191Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
73184Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
73163Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
73161Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
73178Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418

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