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GPCR

NameC-X-C chemokine receptor type 4
SpeciesMus musculus (Mouse)
GeneCxcr4
SynonymLCR1
LESTR
LESTR {ECO:0000303|PubMed:9295051}
Leukocyte-derived seven transmembrane domain receptor
NPY3R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMEPISVSIYTSDNYSEEVGSGDYDSNKEPCFRDENVHFNRIFLPTIYFIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAMADWYFGKFLCKAVHIIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKAVYVGVWIPALLLTIPDFIFADVSQGDISQGDDRYICDRLYPDSLWMVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYVGISIDSFILLGVIKQGCDFESIVHKWISITEALAFFHCCLNPILYAFLGAKFKSSAQHALNSMSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
UniProtP70658
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1250365
IUPHAR71
DrugBankN/A

Ligand

NameGSK812397
Molecular formulaC24H32N6O
IUPAC name[5-(4-methylpiperazin-1-yl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-3-yl]methanol
Molecular weight420.561
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50326057
Imidazo(1,2-a)pyridine-3-methanol, 5-(4-methyl-1-piperazinyl)-2-((methyl((8S)-5,6,7,8-tetrahydro-8-quinolinyl)amino)methyl)-
(5-(4-Methyl-1-piperazinyl)-2-((methyl((8S)-5,6,7,8-tetrahydro-8-quinolinyl)amino)methyl)imidazo(1,2-a)pyridin-3-yl)methanol
CXCR4 receptor antagonists (HIV-1 infection)
SCHEMBL3737986
[ Show all ]
Inchi KeyQUDMHFVRKBVGBY-FQEVSTJZSA-N
Inchi IDInChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1
PubChem CID11718722
ChEMBLCHEMBL1242210
IUPHARN/A
BindingDB50326057
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502.1 nMPMID19949058BindingDB,ChEMBL

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