Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameCHEMBL1926745
Molecular formulaC21H29N3O3
IUPAC name2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
Molecular weight371.481
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.0
SynonymsBDBM50359419
CHEMBL1962804
SCHEMBL14088270
Inchi KeyDSCQYJWJCPNZPX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H29N3O3/c25-20-15-23(21(26)18-7-5-13-24(18)20)12-4-3-11-22-14-17-10-9-16-6-1-2-8-19(16)27-17/h1-2,6,8,17-18,22H,3-5,7,9-15H2
PubChem CID56850658
ChEMBLN/A
IUPHARN/A
BindingDB50359419
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
674685-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
674725-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
674705-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
674735-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406
674715-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
67469D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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