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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

NameCHEMBL3966751
Molecular formulaC25H28ClF3N4O2
IUPAC nameN-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular weight508.97
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM243789
SCHEMBL17270138
US9428456, 1.218
Inchi KeyDGCVFUGXQJATEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28ClF3N4O2/c26-20-9-8-19(31-24(35)21-6-3-7-22(32-21)25(27,28)29)14-17(20)15-33-12-10-16(11-13-33)23(34)30-18-4-1-2-5-18/h3,6-9,14,16,18H,1-2,4-5,10-13,15H2,(H,30,34)(H,31,35)
PubChem CID118521852
ChEMBLCHEMBL3966751
IUPHARN/A
BindingDB243789
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC502.0 nM, NoneBindingDB,ChEMBL

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