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

NameCHEMBL361312
Molecular formulaC20H21ClN2O2
IUPAC name3-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]phenoxy]-N,N-dimethylpropan-1-amine
Molecular weight356.85
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50150569
(3-{4-[3-(4-Chloro-phenyl)-isoxazol-5-yl]-phenoxy}-propyl)-dimethyl-amine
Inchi KeyCHQJWHNOXDJENO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21ClN2O2/c1-23(2)12-3-13-24-18-10-6-16(7-11-18)20-14-19(22-25-20)15-4-8-17(21)9-5-15/h4-11,14H,3,12-13H2,1-2H3
PubChem CID10291817
ChEMBLCHEMBL361312
IUPHARN/A
BindingDB50150569
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
42214C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350

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