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

NameCHEMBL479540
Molecular formulaC28H34N2O
IUPAC name2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
Molecular weight414.593
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP7.2
Synonyms2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
BDBM50251785
SCHEMBL13925301
Inchi KeyAPBBOOMZHRZQBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34N2O/c1-5-19-12-8-9-15-22(19)29-23-16-11-17-24-28(23)26(31-4)18-25(30-24)27-20(6-2)13-10-14-21(27)7-3/h8-10,12-15,18,23,29H,5-7,11,16-17H2,1-4H3
PubChem CID25192635
ChEMBLCHEMBL479540
IUPHARN/A
BindingDB50251785
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10821C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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