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

NameCHEMBL82591
Molecular formulaC22H28N2O2
IUPAC name1-[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethyl]-4-(4-methoxyphenyl)piperazine
Molecular weight352.478
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50051564
1-((R)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-piperazine
1beta-[2-[4-(4-Methoxyphenyl)-1-piperazinyl]ethyl]-3,4-dihydro-1H-2-benzopyran
Inchi KeyIAUNACXRZSWWJT-JOCHJYFZSA-N
Inchi IDInChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m1/s1
PubChem CID11792324
ChEMBLCHEMBL82591
IUPHARN/A
BindingDB50051564
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1287645-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
128767D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
128766D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
128765D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
128763D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387

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