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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

NameCHEMBL3946330
Molecular formulaC26H33F3N4O2
IUPAC nameN-(2-methylbutan-2-yl)-1-[[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]methyl]azepane-4-carboxamide
Molecular weight490.571
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM243710
US9428456, 2.088
Inchi KeyBCGFPZAQHSIDQW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33F3N4O2/c1-4-25(2,3)32-23(34)19-9-7-14-33(15-13-19)17-18-8-5-10-20(16-18)30-24(35)21-11-6-12-22(31-21)26(27,28)29/h5-6,8,10-12,16,19H,4,7,9,13-15,17H2,1-3H3,(H,30,35)(H,32,34)
PubChem CID129626092
ChEMBLCHEMBL3946330
IUPHARN/A
BindingDB243710
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5019.0 nM, NoneBindingDB,ChEMBL

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