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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

NameCHEMBL3891911
Molecular formulaC22H29N3O2S
IUPAC nameN,N-diethyl-1-[[3-(thiophene-2-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
Molecular weight399.553
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM243585
US9428456, 2.074
Inchi KeyBNLDBOIXGIMLAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29N3O2S/c1-3-25(4-2)22(27)18-10-12-24(13-11-18)16-17-7-5-8-19(15-17)23-21(26)20-9-6-14-28-20/h5-9,14-15,18H,3-4,10-13,16H2,1-2H3,(H,23,26)
PubChem CID129626001
ChEMBLCHEMBL3891911
IUPHARN/A
BindingDB243585
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5070.0 nM, NoneBindingDB,ChEMBL

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