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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

NameCCR4 Antagonist
Molecular formulaC27H41N5O2
IUPAC nameN-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine
Molecular weight467.658
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.0
SynonymsN-cycloheptyl-6,7-dimethoxy-2-(4-(piperidin-1-yl)piperidin-1-yl)quinazolin-4-amine
2-(1,4''-Bipiperidine-1''-yl)-N-cycloheptyl-6,7-dimethoxyquinazolin-4-amine
compound 8ic [PMID: 19081254]
SCHEMBL15280259
864289-85-0
[ Show all ]
Inchi KeyWYVBISCFCHREDA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
PubChem CID25141190
ChEMBLCHEMBL508207
IUPHAR9478
BindingDB50243945
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity0.039 uMPMID18539035ChEMBL
IC5039.0 nMPMID19081254BindingDB,ChEMBL

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