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 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:

GPCR

NameC-C chemokine receptor type 4
SpeciesMus musculus (Mouse)
GeneCcr4
Synonymchemokine (C-C motif) receptor 4
CD194
CCR4
CCR-4
CC-CKR-4
[ Show all ]
DiseaseN/A for non-human GPCRs
Length360
Amino acid sequenceMNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL
UniProtP51680
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5410
IUPHAR61
DrugBankN/A

Ligand

NameCHEMBL486656
Molecular formulaC26H34ClN5O3
IUPAC name4-[[1-[4-(4-chloroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]-methylamino]butan-1-ol
Molecular weight500.04
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM50245072
4-[(1-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinazolin-2-yl}piperidin-4-yl)(methyl)amino]butan-1-ol
Inchi KeyFULJKBQKEUBPBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34ClN5O3/c1-31(12-4-5-15-33)20-10-13-32(14-11-20)26-29-22-17-24(35-3)23(34-2)16-21(22)25(30-26)28-19-8-6-18(27)7-9-19/h6-9,16-17,20,33H,4-5,10-15H2,1-3H3,(H,28,29,30)
PubChem CID44562192
ChEMBLCHEMBL486656
IUPHARN/A
BindingDB50245072
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition42.0 %PMID18694645ChEMBL

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