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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

NameCHEMBL496151
Molecular formulaC26H32ClN5O3
IUPAC name1-[1-[4-(4-chloroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]piperidin-3-ol
Molecular weight498.024
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50265667
1''-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinazolin-2-yl}-1,4''-bipiperidin-3-ol
Inchi KeyAUZUCMHFUOGOFB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32ClN5O3/c1-34-23-14-21-22(15-24(23)35-2)29-26(30-25(21)28-18-7-5-17(27)6-8-18)31-12-9-19(10-13-31)32-11-3-4-20(33)16-32/h5-8,14-15,19-20,33H,3-4,9-13,16H2,1-2H3,(H,28,29,30)
PubChem CID44581042
ChEMBLCHEMBL496151
IUPHARN/A
BindingDB50265667
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50430.0 nMPMID19081254BindingDB,ChEMBL

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