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

NameCHEMBL3358683
Molecular formulaC23H28N4O2S
IUPAC name1-[2-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethyl]-3-thieno[3,2-b]pyridin-7-ylurea
Molecular weight424.563
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.0
SynonymsBDBM50036152
Inchi KeyCTOQRKGSJCPPJY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N4O2S/c1-17-3-2-4-18(15-17)16-23(29)7-11-27(12-8-23)13-10-25-22(28)26-20-5-9-24-19-6-14-30-21(19)20/h2-6,9,14-15,29H,7-8,10-13,16H2,1H3,(H2,24,25,26,28)
PubChem CID86291907
ChEMBLCHEMBL3358683
IUPHARN/A
BindingDB50036152
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
443690Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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