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

NameCHEMBL343477
Molecular formulaC28H29N3O4S
IUPAC nameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-3-[4-(2-methylpropyl)phenyl]phenyl]benzamide
Molecular weight503.617
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.0
SynonymsN-[6-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-4''-isobutyl-biphenyl-3-yl]-benzamide
BDBM50068734
DTOHVNJSMVBCGT-UHFFFAOYSA-N
SCHEMBL6767145
n-[2-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl]-4'-(2-methylpropyl)[1,1'-biphenyl]-5-yl]benzamide
Inchi KeyDTOHVNJSMVBCGT-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29N3O4S/c1-18(2)16-21-10-12-22(13-11-21)25-17-24(29-27(32)23-8-6-5-7-9-23)14-15-26(25)36(33,34)31-28-19(3)20(4)30-35-28/h5-15,17-18,31H,16H2,1-4H3,(H,29,32)
PubChem CID10839202
ChEMBLCHEMBL343477
IUPHARN/A
BindingDB50068734
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
68514Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
68515Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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