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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

NameCHEMBL488857
Molecular formulaC25H32ClN5O3
IUPAC name3-[[1-[4-(4-chloroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]-methylamino]propan-1-ol
Molecular weight486.013
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50245071
3-[(1-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinazolin-2-yl}piperidin-4-yl)(methyl)amino]propan-1-ol
Inchi KeyCOCWQKFCDRXFCL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32ClN5O3/c1-30(11-4-14-32)19-9-12-31(13-10-19)25-28-21-16-23(34-3)22(33-2)15-20(21)24(29-25)27-18-7-5-17(26)6-8-18/h5-8,15-16,19,32H,4,9-14H2,1-3H3,(H,27,28,29)
PubChem CID44562191
ChEMBLCHEMBL488857
IUPHARN/A
BindingDB50245071
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition32.0 %PMID18694645ChEMBL

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