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

NameCHEMBL148853
Molecular formulaC22H26N2O4S
IUPAC nameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide
Molecular weight414.52
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.2
SynonymsSCHEMBL6772995
BDBM50068743
N-(3,4-Dimethylisoxazole-5-yl)-2'-methoxy-4'-(2-methylpropyl)-1,1'-biphenyl-2-sulfonamide
4''-Isobutyl-2''-methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
Inchi KeyCEQZTVDVWMGLDZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N2O4S/c1-14(2)12-17-10-11-18(20(13-17)27-5)19-8-6-7-9-21(19)29(25,26)24-22-15(3)16(4)23-28-22/h6-11,13-14,24H,12H2,1-5H3
PubChem CID10597897
ChEMBLCHEMBL148853
IUPHARN/A
BindingDB50068743
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
40176Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
40174Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
40175Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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