Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL397395
Molecular formulaC27H31N3O3
IUPAC name3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
Molecular weight445.563
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.5
SynonymsSCHEMBL6820980
BDBM50423244
Inchi KeyDBMAUWVASVSMOE-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31N3O3/c1-18-4-5-20(14-19(18)2)16-29-12-9-21(10-13-29)30-17-26(33-27(30)31)23-8-11-28-25-7-6-22(32-3)15-24(23)25/h4-8,11,14-15,21,26H,9-10,12-13,16-17H2,1-3H3
PubChem CID10003657
ChEMBLCHEMBL397395
IUPHARN/A
BindingDB50423244
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
55813C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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