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

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL2160159
Molecular formulaC24H30N2O3
IUPAC name2-(2,6-dimethoxy-4-methylphenyl)-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine
Molecular weight394.515
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.4
SynonymsBDBM50394514
Inchi KeyAWUIPMWQBCSXND-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N2O3/c1-8-26(9-2)18-10-11-19(27-5)24-17(18)14-16(4)23(25-24)22-20(28-6)12-15(3)13-21(22)29-7/h10-14H,8-9H2,1-7H3
PubChem CID71456848
ChEMBLCHEMBL2160159
IUPHARN/A
BindingDB50394514
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
16371Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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