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GPCR

NameAtypical chemokine receptor 3
SpeciesHomo sapiens (Human)
GeneACKR3
SynonymC-X-C chemokine receptor type 7
Cxcr7
CXCR-7
CXC-R7
chemokine (C-X-C motif) receptor 7
[ Show all ]
DiseaseAsthma
Cancer
Length362
Amino acid sequenceMDLHLFDYSEPGNFSDISWPCNSSDCIVVDTVMCPNMPNKSVLLYTLSFIYIFIFVIGMIANSVVVWVNIQAKTTGYDTHCYILNLAIADLWVVLTIPVWVVSLVQHNQWPMGELTCKVTHLIFSINLFGSIFFLTCMSVDRYLSITYFTNTPSSRKKMVRRVVCILVWLLAFCVSLPDTYYLKTVTSASNNETYCRSFYPEHSIKEWLIGMELVSVVLGFAVPFSIIAVFYFLLARAISASSDQEKHSSRKIIFSYVVVFLVCWLPYHVAVLLDIFSILHYIPFTCRLEHALFTALHVTQCLSLVHCCVNPVLYSFINRNYRYELMKAFIFKYSAKTGLTKLIDASRVSETEYSALEQSTK
UniProtP25106
Protein Data BankN/A
GPCR-HGmod modelP25106
3D structure modelThis predicted structure model is from GPCR-EXP P25106.
BioLiPN/A
Therapeutic Target DatabaseT10491
ChEMBLCHEMBL2010631
IUPHAR80
DrugBankN/A

Ligand

NameCHEMBL2013232
Molecular formulaC28H37FN2O5
IUPAC nameN-[(E)-3-(2-fluoro-4-methoxyphenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
Molecular weight500.611
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.1
SynonymsBDBM50380137
Inchi KeyBBJOIMDIAGXPEI-XMHGGMMESA-N
Inchi IDInChI=1S/C28H37FN2O5/c1-19(14-20-9-10-23(33-3)17-24(20)29)18-31(13-11-22-8-7-12-30(22)2)28(32)21-15-25(34-4)27(36-6)26(16-21)35-5/h9-10,14-17,22H,7-8,11-13,18H2,1-6H3/b19-14+
PubChem CID59052425
ChEMBLCHEMBL2013232
IUPHARN/A
BindingDB50380137
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1258.93 nMPMID22424612BindingDB,ChEMBL

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