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

NameCHEMBL590615
Molecular formulaC19H20FNO
IUPAC nameN-[2-(3-fluorophenyl)ethyl]-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-amine
Molecular weight297.373
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.0
Synonyms8-(3''-Fluorophenethyl)amino-4-oxapentacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecane
BDBM50305341
Inchi KeyCWYDYWFZPBTTIM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-19-16-11-7-10-12-13(11)17(19)15(12)18(22-19)14(10)16/h1-3,6,10-18,21H,4-5,7H2
PubChem CID46225029
ChEMBLCHEMBL590615
IUPHARN/A
BindingDB50305341
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 29
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
525775-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
525635-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
525655-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
525575-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
525645-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
525515-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
525595-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
525765-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
525725-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
525555-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
525665-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
52554Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
52569Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
443803Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
52578Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
52561Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
52571Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
52553Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
52573Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
52558Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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