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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

NameCHEMBL3915468
Molecular formulaC27H27ClF3N3O3
IUPAC name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]piperidine-4-carboxamide
Molecular weight533.976
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM243831
US9428456, 2.034
Inchi KeyADULQKNSCDPBOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27ClF3N3O3/c1-17-13-21(24(37-17)27(29,30)31)15-32-25(35)20-9-11-34(12-10-20)16-18-3-2-4-23(14-18)33-26(36)19-5-7-22(28)8-6-19/h2-8,13-14,20H,9-12,15-16H2,1H3,(H,32,35)(H,33,36)
PubChem CID129626152
ChEMBLCHEMBL3915468
IUPHARN/A
BindingDB243831
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50533.0 nM, NoneBindingDB,ChEMBL

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