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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

NameCHEMBL3914298
Molecular formulaC27H34ClN3O3
IUPAC name1-[[4-chloro-3-[(4-methoxybenzoyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
Molecular weight484.037
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM243544
US9428456, 1.159
Inchi KeyCHTUGYYYIYYEIG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34ClN3O3/c1-34-23-10-8-20(9-11-23)27(33)30-25-17-19(7-12-24(25)28)18-31-15-13-21(14-16-31)26(32)29-22-5-3-2-4-6-22/h7-12,17,21-22H,2-6,13-16,18H2,1H3,(H,29,32)(H,30,33)
PubChem CID129625978
ChEMBLCHEMBL3914298
IUPHARN/A
BindingDB243544
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5014.0 nM, NoneBindingDB,ChEMBL

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