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GPCR

NameAtypical chemokine receptor 3
SpeciesHomo sapiens (Human)
GeneACKR3
SynonymRDC-1
GPR159
G-protein coupled receptor RDC1 homolog
G-protein coupled receptor 159
Cxcr7
[ Show all ]
DiseaseCancer
Asthma
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

NameCHEMBL3972023
Molecular formulaC28H37N3O2
IUPAC nameN-cyclohexyl-1-[[3-(3-phenylpropanoylamino)phenyl]methyl]piperidine-4-carboxamide
Molecular weight447.623
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM243609
US9428456, 1.034
Inchi KeyCIJSUDVKQRGPCF-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37N3O2/c32-27(15-14-22-8-3-1-4-9-22)29-26-13-7-10-23(20-26)21-31-18-16-24(17-19-31)28(33)30-25-11-5-2-6-12-25/h1,3-4,7-10,13,20,24-25H,2,5-6,11-12,14-19,21H2,(H,29,32)(H,30,33)
PubChem CID129626019
ChEMBLCHEMBL3972023
IUPHARN/A
BindingDB243609
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5018.0 nM, NoneBindingDB,ChEMBL

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