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 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

Namesotalol
Molecular formulaC12H20N2O3S
IUPAC nameN-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
Molecular weight272.363
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.2
SynonymsSotalol (INN)
API0004211
SPBio_002892
BSPBio_000971
CHEBI:63622
[ Show all ]
Inchi KeyZBMZVLHSJCTVON-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
PubChem CID5253
ChEMBLCHEMBL471
IUPHARN/A
BindingDB25762
DrugBankDB00489

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
4244535-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
424450Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
424452Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
424448Beta-2 adrenergic receptorQ28044ADRB2Bos taurus (Bovine)418
424449Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
424451Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415
462810Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
424454Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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