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

NameCHEMBL195484
Molecular formulaC18H24Cl2N4O
IUPAC nameN-[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]-N',N'-diethylpropane-1,3-diamine
Molecular weight383.317
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.7
SynonymsN''-[4-(2,4-Dichloro-benzyloxy)-pyrimidin-2-yl]-N,N-diethyl-propane-1,3-diamine
BDBM50166648
Inchi KeyFBLJILOIWISVAV-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24Cl2N4O/c1-3-24(4-2)11-5-9-21-18-22-10-8-17(23-18)25-13-14-6-7-15(19)12-16(14)20/h6-8,10,12H,3-5,9,11,13H2,1-2H3,(H,21,22,23)
PubChem CID44401087
ChEMBLCHEMBL195484
IUPHARN/A
BindingDB50166648
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
74302C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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