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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

NameCHEMBL2381324
Molecular formulaC21H27NO4
IUPAC name7-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Molecular weight357.45
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.0
SynonymsAC1NKKV1
BDBM50434049
MCULE-8210047200
7-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Inchi KeyBBTCNFOABOBVLM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27NO4/c1-14-5-2-3-10-22(14)12-15(23)13-25-16-8-9-18-17-6-4-7-19(17)21(24)26-20(18)11-16/h8-9,11,14-15,23H,2-7,10,12-13H2,1H3
PubChem CID4915043
ChEMBLCHEMBL2381324
IUPHARN/A
BindingDB50434049
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC508020.0 nMPMID23656360BindingDB,ChEMBL

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