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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

NameCHEMBL3929887
Molecular formulaC29H34N4O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]isoquinoline-8-carboxamide
Molecular weight470.617
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM243491
US9428456, 1.010
Inchi KeyCBEAPPSWJHTQSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H34N4O2/c34-28(31-24-8-2-1-3-9-24)23-13-16-33(17-14-23)20-21-6-4-10-25(18-21)32-29(35)26-11-5-7-22-12-15-30-19-27(22)26/h4-7,10-12,15,18-19,23-24H,1-3,8-9,13-14,16-17,20H2,(H,31,34)(H,32,35)
PubChem CID129625942
ChEMBLCHEMBL3929887
IUPHARN/A
BindingDB243491
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5068.0 nM, NoneBindingDB,ChEMBL

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