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

NameCHEMBL3358679
Molecular formulaC23H28N4O2S
IUPAC name1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-methylthieno[3,2-b]pyridin-7-yl)urea
Molecular weight424.563
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.0
SynonymsBDBM50036155
Inchi KeyDHPIFMNXORGQBU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N4O2S/c1-17-15-20(21-19(25-17)7-14-30-21)26-22(28)24-10-13-27-11-8-23(29,9-12-27)16-18-5-3-2-4-6-18/h2-7,14-15,29H,8-13,16H2,1H3,(H2,24,25,26,28)
PubChem CID86291696
ChEMBLCHEMBL3358679
IUPHARN/A
BindingDB50036155
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
444060Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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