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

NameA-80426
Molecular formulaC23H27NO2
IUPAC name2-(1-benzofuran-6-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine
Molecular weight349.474
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.3
Synonyms(2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
NCGC00378605-01
AKOS030558130
CHEMBL268258
SCHEMBL647243
[ Show all ]
Inchi KeyMHPMXTGKTXJIDI-IBGZPJMESA-N
Inchi IDInChI=1S/C23H27NO2/c1-24(13-11-17-9-10-18-12-14-26-23(18)15-17)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,12,14-15,19H,3,5,7,11,13,16H2,1-2H3/t19-/m0/s1
PubChem CID9928332
ChEMBLCHEMBL268258
IUPHARN/A
BindingDB50057128
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: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2056675-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2056695-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
2056765-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
2056735-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
205678Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
205670Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
205672Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
205675Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
205674Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415
205668D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
205677D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
205679D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
205680D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
205671Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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