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 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

NameEPPTB
Molecular formulaC20H21F3N2O2
IUPAC nameN-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
Molecular weight378.395
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
SynonymsAS-53746
GTPL5457
Ro 5212773
(N-(3-Ethoxy-phenyl)-4-pyrrolidin-1-yl-3-trifluoromethyl-benzamide
N-(3-Ethoxyphenyl)-3-(trifluoromethyl)-4-(pyrrolidine-1-yl)benzamide
[ Show all ]
Inchi KeyKLFVWQCQUXXLOU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)
PubChem CID25175634
ChEMBLCHEMBL1669669
IUPHAR5457
BindingDB50336205
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 41
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
1719345-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1719105-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
1719465-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1719425-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
1719185-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
1719205-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
171945Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
171925Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
448433Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
171929B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
171919Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
171940Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
448434C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
171912C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
171911Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
171947Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
171922D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
171923D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
171943Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
171916Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

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