Home Research COVID-19 Services Publications People Teaching Job Opening News Forum -->
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 StarFunc 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

NameSCHEMBL7098572
Molecular formulaC14H15N3O2S
IUPAC nameN-[5-(1H-imidazol-5-yl)-7,8-dihydronaphthalen-1-yl]methanesulfonamide
Molecular weight289.353
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.3
SynonymsCHEMBL3350265
Inchi KeyJIJRXPOQLAUOTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H15N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,6-9,17H,2,5H2,1H3,(H,15,16)
PubChem CID9922027
ChEMBLCHEMBL3350265
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
447695Alpha-1A adrenergic receptorO02824ADRA1AOryctolagus cuniculus (Rabbit)466
447697Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
447698Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
447696Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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