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

NameDEXPROPRANOLOL
Molecular formulaC16H21NO2
IUPAC name(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight259.349
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.0
SynonymsPDSP2_000763
R (+)-Propanolol
AY-20694
SMR000875288
CAS-5051-22-9
[ Show all ]
Inchi KeyAQHHHDLHHXJYJD-CQSZACIVSA-N
Inchi IDInChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
PubChem CID21138
ChEMBLCHEMBL275742
IUPHARN/A
BindingDB60973
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
117105-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
117045-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
117115-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
11705Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
11707Beta-2 adrenergic receptorQ28044ADRB2Bos taurus (Bovine)418
11709Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
11708Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
11706Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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