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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

NameCHEMBL3921107
Molecular formulaC26H30Cl2F3N3O2
IUPAC nameN-tert-butyl-1-[[3-[[2-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
Molecular weight544.44
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM243911
US9428456, 1.250
Inchi KeyAAUYXQDVSOCYJB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30Cl2F3N3O2/c1-25(2,3)33-24(36)17-9-11-34(12-10-17)15-16-5-4-6-18(13-16)32-22(35)14-19-21(27)8-7-20(23(19)28)26(29,30)31/h4-8,13,17H,9-12,14-15H2,1-3H3,(H,32,35)(H,33,36)
PubChem CID72704647
ChEMBLCHEMBL3921107
IUPHARN/A
BindingDB243911
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC503.0 nM, NoneBindingDB,ChEMBL

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