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

NameCHEMBL3818047
Molecular formulaC19H20ClNO
IUPAC name1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
Molecular weight313.825
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.1
SynonymsSCHEMBL20364978
BDBM50182742
J3.555.138G
1-(4-Chlorophenyl)-4-[3,4-dihydroisoquinoline-2(1H)-yl]-1-butanone
Inchi KeyHKUPNFQZELWUIO-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20ClNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
PubChem CID91864602
ChEMBLCHEMBL3818047
IUPHARN/A
BindingDB50182742
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
5249255-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5249245-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5249275-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5249305-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
5249285-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
524922D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
524929D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
524923D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
524926Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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