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GPCR

NameAtypical chemokine receptor 3
SpeciesHomo sapiens (Human)
GeneACKR3
SynonymRDC-1
GPR159
G-protein coupled receptor RDC1 homolog
G-protein coupled receptor 159
Cxcr7
[ Show all ]
DiseaseCancer
Asthma
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

NameCHEMBL3915132
Molecular formulaC26H35N5O2
IUPAC nameN-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]-2-methylpyrimidine-4-carboxamide
Molecular weight449.599
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM243768
SCHEMBL17270263
US9428456, 1.197
Inchi KeyABTMEKLDDFJOTC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H35N5O2/c1-18(31-15-12-20(13-16-31)25(32)29-22-8-4-3-5-9-22)21-7-6-10-23(17-21)30-26(33)24-11-14-27-19(2)28-24/h6-7,10-11,14,17-18,20,22H,3-5,8-9,12-13,15-16H2,1-2H3,(H,29,32)(H,30,33)
PubChem CID118521955
ChEMBLCHEMBL3915132
IUPHARN/A
BindingDB243768
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5015.0 nM, NoneBindingDB,ChEMBL

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