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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

NameCHEMBL3961653
Molecular formulaC26H33N3O3
IUPAC nameN-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
Molecular weight435.568
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM243552
US9428456, 1.266
Inchi KeyBEFFRMBGYHPHKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33N3O3/c1-26(2,3)28-24(30)19-11-13-29(14-12-19)16-18-7-6-8-20(15-18)27-25(31)22-17-32-23-10-5-4-9-21(22)23/h4-10,15,19,22H,11-14,16-17H2,1-3H3,(H,27,31)(H,28,30)
PubChem CID72705785
ChEMBLCHEMBL3961653
IUPHARN/A
BindingDB243552
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC506.0 nM, NoneBindingDB,ChEMBL

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