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

NameEticlopride
Molecular formulaC17H25ClN2O3
IUPAC name5-chloro-3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
Molecular weight340.848
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.1
SynonymsEticlopride [INN]
Eticlopridum [Latin]
Eticloprida [Spanish]
CHEMBL8946
UNII-J8M468HBH4
[ Show all ]
Inchi KeyAADCDMQTJNYOSS-LBPRGKRZSA-N
Inchi IDInChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
PubChem CID57267
ChEMBLCHEMBL8946
IUPHAR966
BindingDB50007518
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 18
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
915-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5554775-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
5554785-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
875-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
90Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
89Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
459236Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
85D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
92D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
81D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
84D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
88D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
83D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
555476D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
82D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
86D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
80Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
93Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466

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