Home Research Services Publications People Teaching Job Opening Facilities 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 BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER 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

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

NameCHEMBL3818989
Molecular formulaC19H21NO
IUPAC name4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylbutan-1-one
Molecular weight279.383
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.5
SynonymsAKOS009059953
BDBM50182748
SCHEMBL20358752
Inchi KeyKAHXPONUPROIRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21NO/c21-19(17-8-2-1-3-9-17)11-6-13-20-14-12-16-7-4-5-10-18(16)15-20/h1-5,7-10H,6,11-15H2
PubChem CID43229249
ChEMBLCHEMBL3818989
IUPHARN/A
BindingDB50182748
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5262065-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5262145-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5262085-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5262135-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
5262115-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
526209D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
526207D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
526210D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
526212Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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