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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

NameGTPL9883
Molecular formulaC28H38N4O
IUPAC name(E)-N-(oxan-4-yl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamine
Molecular weight446.639
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.0
Synonymscompound 46c [PMID: 29350534]
SCHEMBL20482753
Inchi KeyQPAGOTNPJABYCP-FITNPZAZSA-N
Inchi IDInChI=1S/C28H38N4O/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-4,6-8,10,15,25-27,29,31H,5,9,11-14,16-21H2/b4-3+/t26-,27+/m1/s1
PubChem CID133081963
ChEMBLN/A
IUPHAR9883
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC509.24 nMPMID29350534IUPHAR

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