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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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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

NameCHEMBL3978234
Molecular formulaC25H31F3N4O2
IUPAC nameN-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular weight476.544
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM243680
SCHEMBL17270180
US9428456, 1.301
Inchi KeyCATVBXAOUQSPII-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31F3N4O2/c1-16-8-9-17(15-32-12-10-18(11-13-32)22(33)31-24(2,3)4)14-20(16)30-23(34)19-6-5-7-21(29-19)25(26,27)28/h5-9,14,18H,10-13,15H2,1-4H3,(H,30,34)(H,31,33)
PubChem CID118521888
ChEMBLCHEMBL3978234
IUPHARN/A
BindingDB243680
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC502.0 nM, NoneBindingDB,ChEMBL

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