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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

NameCHEMBL3925733
Molecular formulaC28H37N3O2
IUPAC nameN-cyclohexyl-1-[[3-[(4-ethylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
Molecular weight447.623
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM243859
US9428456, 1.097
Inchi KeyCZDAJXDOAMQKJQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37N3O2/c1-2-21-11-13-23(14-12-21)27(32)30-26-10-6-7-22(19-26)20-31-17-15-24(16-18-31)28(33)29-25-8-4-3-5-9-25/h6-7,10-14,19,24-25H,2-5,8-9,15-18,20H2,1H3,(H,29,33)(H,30,32)
PubChem CID129626170
ChEMBLCHEMBL3925733
IUPHARN/A
BindingDB243859
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC505.0 nM, NoneBindingDB,ChEMBL

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