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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

NameCHEMBL3898127
Molecular formulaC27H32N4O2
IUPAC name1-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
Molecular weight444.579
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM243869
US9428456, 1.107
Inchi KeyCCBHNNBGAXYMMJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N4O2/c28-18-20-9-11-22(12-10-20)26(32)30-25-8-4-5-21(17-25)19-31-15-13-23(14-16-31)27(33)29-24-6-2-1-3-7-24/h4-5,8-12,17,23-24H,1-3,6-7,13-16,19H2,(H,29,33)(H,30,32)
PubChem CID129626176
ChEMBLCHEMBL3898127
IUPHARN/A
BindingDB243869
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC508.0 nM, NoneBindingDB,ChEMBL

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