Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL348685
Molecular formulaC20H22N2O3S2
IUPAC nameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfanylphenyl)benzenesulfonamide
Molecular weight402.527
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50068731
4''-Isopropylsulfanyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
Inchi KeyAHEDUZDNVCGQSP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N2O3S2/c1-13(2)26-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(23,24)22-20-14(3)15(4)21-25-20/h5-13,22H,1-4H3
PubChem CID10501299
ChEMBLCHEMBL348685
IUPHARN/A
BindingDB50068731
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5469Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
5467Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
5468Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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