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

NameCHEMBL146845
Molecular formulaC24H31N3O3S
IUPAC nameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropyl)-2-(propylamino)phenyl]benzenesulfonamide
Molecular weight441.59
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.1
Synonymsn-(3,4-dimethyl-5-isoxazolyl)-4'-(2-methylpropyl)-2'-(propylamino)-[1,1'-biphenyl]-2-sulfonamide
N-(3,4-Dimethylisoxazole-5-yl)-2'-(propylamino)-4'-(2-methylpropyl)-1,1'-biphenyl-2-sulfonamide
AQJXXSDUHOILFS-UHFFFAOYSA-N
4''-Isobutyl-2''-propylamino-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
SCHEMBL6769898
[ Show all ]
Inchi KeyAQJXXSDUHOILFS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31N3O3S/c1-6-13-25-22-15-19(14-16(2)3)11-12-20(22)21-9-7-8-10-23(21)31(28,29)27-24-17(4)18(5)26-30-24/h7-12,15-16,25,27H,6,13-14H2,1-5H3
PubChem CID10599293
ChEMBLCHEMBL146845
IUPHARN/A
BindingDB50068677
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
11839Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
11838Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
11840Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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