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

NameCHEMBL434082
Molecular formulaC21H24N2O3S
IUPAC nameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
Molecular weight384.494
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.2
Synonyms4''-Isobutyl-biphenyl-2-sulfonic acid (4,5-dimethyl-isoxazol-3-yl)-amide
SCHEMBL6767700
BDBM50068685
N-(4,5-Dimethylisoxazole-3-yl)-4'-(2-methylpropyl)-1,1'-biphenyl-2-sulfonamide
Inchi KeyBBNRKSPDJHJZHA-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)26-22-21/h5-12,14H,13H2,1-4H3,(H,22,23)
PubChem CID10762600
ChEMBLCHEMBL434082
IUPHARN/A
BindingDB50068685
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
19650Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
19649Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426
19651Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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