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

NameCHEMBL111554
Molecular formulaC14H17N3O2S
IUPAC nameN-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
Molecular weight291.369
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.7
SynonymsA-204176
N-[5,6,7,8-tetrahydro-5-(1H-imidazol-5-yl)-1-naphthalenyl]-Methanesulfonamide
SCHEMBL6401359
258527-44-5
Inchi KeyFTWWLMPVXHMPNP-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)
PubChem CID9904117
ChEMBLCHEMBL111554
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
87191Alpha-1A adrenergic receptorO02824ADRA1AOryctolagus cuniculus (Rabbit)466
87194Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
87189Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
87195Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
87193Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
87188Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
87192Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
87190Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417