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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

NameCHEMBL3973660
Molecular formulaC24H29FN4O2
IUPAC nameN-[3-[[4-[(3R)-3-fluoropyrrolidine-1-carbonyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
Molecular weight424.52
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.4
SynonymsBDBM243939
US9428456, 2.052
Inchi KeyBLYLYYYSFJHHDJ-OAQYLSRUSA-N
Inchi IDInChI=1S/C24H29FN4O2/c1-17-11-20(14-26-13-17)23(30)27-22-4-2-3-18(12-22)15-28-8-5-19(6-9-28)24(31)29-10-7-21(25)16-29/h2-4,11-14,19,21H,5-10,15-16H2,1H3,(H,27,30)/t21-/m1/s1
PubChem CID129626227
ChEMBLCHEMBL3973660
IUPHARN/A
BindingDB243939
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50121.0 nM, NoneBindingDB,ChEMBL

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