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

NameCHEMBL109848
Molecular formulaC15H17N3O
IUPAC nameN-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
Molecular weight255.321
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP1.9
SynonymsSCHEMBL7103227
Inchi KeySXPWQXVCFMMCEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)
PubChem CID9813756
ChEMBLCHEMBL109848
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
325756Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
325760Alpha-1A adrenergic receptorO02824ADRA1AOryctolagus cuniculus (Rabbit)466
325755Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
325758Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
325759Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
325757Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
325762Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
325761Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453

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