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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

NameCHEMBL487635
Molecular formulaC26H39N5O2
IUPAC nameN-cycloheptyl-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
Molecular weight453.631
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.7
SynonymsN-Cycloheptyl-6,7-dimethoxy-2-(4-pyrrolidine-1-ylpiperidine-1-yl)quinazolin-4-amine
BDBM50244380
N-cycloheptyl-6,7-dimethoxy-2-(4-(pyrrolidin-1-yl)piperidin-1-yl)quinazolin-4-amine
N-cycloheptyl-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
Inchi KeyYBDCCURZNSZBBO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
PubChem CID16724339
ChEMBLCHEMBL487635
IUPHARN/A
BindingDB50244380
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity0.13 uMPMID18539035ChEMBL
IC50130.0 nMPMID19081254, PMID18694645BindingDB,ChEMBL

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