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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

NameCHEMBL3930062
Molecular formulaC23H31N5O2
IUPAC nameN-cyclohexyl-1-[[3-(1H-pyrazole-4-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
Molecular weight409.534
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.5
SynonymsBDBM243619
US9428456, 1.044
Inchi KeyBGYQAFWOGYMEIA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N5O2/c29-22(26-20-6-2-1-3-7-20)18-9-11-28(12-10-18)16-17-5-4-8-21(13-17)27-23(30)19-14-24-25-15-19/h4-5,8,13-15,18,20H,1-3,6-7,9-12,16H2,(H,24,25)(H,26,29)(H,27,30)
PubChem CID129626027
ChEMBLCHEMBL3930062
IUPHARN/A
BindingDB243619
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501240.0 nM, NoneBindingDB,ChEMBL

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