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

NameCHEMBL3915670
Molecular formulaC26H29Br2N3O2S
IUPAC name5-bromo-N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
Molecular weight607.405
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50194924
Inchi KeyBLPHPGSPWQLMGQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29Br2N3O2S/c27-19-2-4-24-18(14-19)15-25(34-24)26(32)30-20-7-11-31(12-8-20)16-17-1-3-23(22(28)13-17)33-21-5-9-29-10-6-21/h1-4,13-15,20-21,29H,5-12,16H2,(H,30,32)
PubChem CID134142581
ChEMBLCHEMBL3915670
IUPHARN/A
BindingDB50194924
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548182Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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