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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

NameCHEMBL3905974
Molecular formulaC27H27Cl2N3O2
IUPAC name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
Molecular weight496.432
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM243822
US9428456, 2.025
Inchi KeyAKXDBIHZEOMCMQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27Cl2N3O2/c28-23-10-8-20(9-11-23)27(34)31-24-6-3-4-19(16-24)18-32-14-12-21(13-15-32)26(33)30-17-22-5-1-2-7-25(22)29/h1-11,16,21H,12-15,17-18H2,(H,30,33)(H,31,34)
PubChem CID129626144
ChEMBLCHEMBL3905974
IUPHARN/A
BindingDB243822
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC5017.0 nM, NoneBindingDB,ChEMBL

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