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

NameCHEMBL487508
Molecular formulaC20H25Cl2NO3
IUPAC name(2S)-1-(2,3-dichlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
Molecular weight398.324
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.6
SynonymsSCHEMBL14383121
BDBM50268076
(2S)-1-[(2,3-Dichlorophenyl)oxy]-3-((1,1-dimethyl-2-[4-(methyloxy)phenyl]ethyl)amino)-2-propanol
Inchi KeyDWAKJSOEJNKPME-HNNXBMFYSA-N
Inchi IDInChI=1S/C20H25Cl2NO3/c1-20(2,11-14-7-9-16(25-3)10-8-14)23-12-15(24)13-26-18-6-4-5-17(21)19(18)22/h4-10,15,23-24H,11-13H2,1-3H3/t15-/m0/s1
PubChem CID44186438
ChEMBLCHEMBL487508
IUPHARN/A
BindingDB50268076
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
70424Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
70422Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
70423Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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