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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

NameCHEMBL3983033
Molecular formulaC25H32ClN3O2S
IUPAC name1-[[2-chloro-3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
Molecular weight474.06
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.2
SynonymsBDBM243641
US9428456, 1.163
Inchi KeyARUXTRGXQQKFTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32ClN3O2S/c1-17-10-11-22(32-17)25(31)28-21-9-5-6-19(23(21)26)16-29-14-12-18(13-15-29)24(30)27-20-7-3-2-4-8-20/h5-6,9-11,18,20H,2-4,7-8,12-16H2,1H3,(H,27,30)(H,28,31)
PubChem CID129626043
ChEMBLCHEMBL3983033
IUPHARN/A
BindingDB243641
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50386.0 nM, NoneBindingDB,ChEMBL

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