Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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

NameCHEMBL191460
Molecular formulaC38H47F6N3O5
IUPAC name3-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]propanamide;2,2,2-trifluoroacetic acid
Molecular weight739.8
Hydrogen bond acceptor13
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyGQTXLMGFFOLOLU-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H45N3O.2C2HF3O2/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29;2*3-2(4,5)1(6)7/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3;2*(H,6,7)
PubChem CID44397670
ChEMBLCHEMBL191460
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 15
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1030015-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1029965-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1029915-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1029895-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
1029905-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
1029925-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1030005-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1029995-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1029935-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
1029875-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
1029945-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
102988Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
102995D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
102998D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
102997D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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