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

NameCHEMBL2348219
Molecular formulaC25H35N3O6
IUPAC name1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(4-hydroxyphenyl)urea
Molecular weight473.57
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP2.3
SynonymsBDBM50432705
Inchi KeyAEISDSYQXOEKFX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H35N3O6/c29-20-7-5-19(6-8-20)28-25(31)27-14-13-26-17-21(30)18-34-24-11-9-23(10-12-24)33-16-15-32-22-3-1-2-4-22/h5-12,21-22,26,29-30H,1-4,13-18H2,(H2,27,28,31)
PubChem CID56597179
ChEMBLCHEMBL2348219
IUPHARN/A
BindingDB50432705
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
3508Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
3507Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
3506Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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