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 DMFold 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

NameCHEMBL3898250
Molecular formulaC20H21Cl2NO
IUPAC name5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
Molecular weight362.294
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogPNone
SynonymsSCHEMBL20359049
BDBM50199141
Inchi KeyCDKCTEJHUVKKNR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
PubChem CID134133604
ChEMBLCHEMBL3898250
IUPHARN/A
BindingDB50199141
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5483345-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5483375-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5483405-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5483355-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5483325-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
548333D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
548338D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
548339D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
548336Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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