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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

NameCHEMBL3937850
Molecular formulaC26H34N4O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
Molecular weight434.584
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM243635
US9428456, 1.060
US9428456, 6.001
Inchi KeyBOKVYEOYYVYULI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N4O2/c1-19-14-22(17-27-16-19)26(32)29-24-9-5-6-20(15-24)18-30-12-10-21(11-13-30)25(31)28-23-7-3-2-4-8-23/h5-6,9,14-17,21,23H,2-4,7-8,10-13,18H2,1H3,(H,28,31)(H,29,32)
PubChem CID72705417
ChEMBLCHEMBL3937850
IUPHARN/A
BindingDB243635
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC504.0 nM, NoneBindingDB,ChEMBL
EC505.0 nM, NoneBindingDB,ChEMBL

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