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

NameCHEMBL3883366
Molecular formulaC13H17NO2
IUPAC name(E)-N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylphenyl)prop-2-enamide
Molecular weight219.284
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP1.7
SynonymsAKOS015149014
J3.621.484H
N-[(S)-1-Methyl-2-hydroxyethyl]-2-methyl-trans-cinnamamide
ZINC32803351
Inchi KeyLHOCIRAREVNAKF-AEZGRPFRSA-N
Inchi IDInChI=1S/C13H17NO2/c1-10-5-3-4-6-12(10)7-8-13(16)14-11(2)9-15/h3-8,11,15H,9H2,1-2H3,(H,14,16)/b8-7+/t11-/m0/s1
PubChem CID40036376
ChEMBLCHEMBL3883366
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 54
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
5408255-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5407815-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
5407965-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5407935-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5408225-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5408185-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
5408335-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5407995-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
540800Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
540791Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
540787Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
540785B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
540813Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
540798Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
540817C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
540811C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
540832Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461
540827Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
540806Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
540810D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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