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

NameCHEMBL359273
Molecular formulaC21H18N4O3S
IUPAC nameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrimidin-2-ylphenyl)benzenesulfonamide
Molecular weight406.46
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50109666
L015402
4''-Pyrimidin-2-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
N-(3,4-Dimethyl-5-isoxazolyl)-4'-(2-pyrimidinyl)biphenyl-2-sulfonamide
SCHEMBL7947185
Inchi KeyAZYAXQRVKZNKCU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18N4O3S/c1-14-15(2)24-28-21(14)25-29(26,27)19-7-4-3-6-18(19)16-8-10-17(11-9-16)20-22-12-5-13-23-20/h3-13,25H,1-2H3
PubChem CID9822616
ChEMBLCHEMBL359273
IUPHARN/A
BindingDB50109666
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18581Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
18582Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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