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GPCR

NameC-X-C chemokine receptor type 4
SpeciesMacaca mulatta (Rhesus macaque)
GeneCXCR4
SynonymCXC-R4
CXCR-4
Fusin
LESTR
Leukocyte-derived seven transmembrane domain receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length352
Amino acid sequenceMEGISIYTSDNYTEEMGSGDYDSIKEPCFREENAHFNRIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQKPRKLLAEKVVYVGVWIPALLLTIPDFIFASVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIDILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
UniProtP79394
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1250366
IUPHARN/A
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
Synonyms(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
878197-98-9
GSK-812397
[ 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
IC507.8 nMPMID19949058BindingDB,ChEMBL

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