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

NameCHEMBL27344
Molecular formulaC18H21N3O3S
IUPAC name5-(dimethylamino)-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
Molecular weight359.444
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
SynonymsSCHEMBL8784615
5-Dimethylamino-naphthalene-1-sulfonic acid (3-ethyl-4-methyl-isoxazol-5-yl)-amide
BDBM50034487
Inchi KeyAQWJVXRFKWWWJT-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21N3O3S/c1-5-15-12(2)18(24-19-15)20-25(22,23)17-11-7-8-13-14(17)9-6-10-16(13)21(3)4/h6-11,20H,5H2,1-4H3
PubChem CID9998577
ChEMBLCHEMBL27344
IUPHARN/A
BindingDB50034487
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12149Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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