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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF 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

NameCHEMBL3899041
Molecular formulaC23H28N4O2
IUPAC nameN-[3-[[4-(cyclopropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-2-methylpyridine-4-carboxamide
Molecular weight392.503
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM243774
US9428456, 1.203
Inchi KeyCXEYHRHABLCBJF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N4O2/c1-16-13-19(7-10-24-16)23(29)26-21-4-2-3-17(14-21)15-27-11-8-18(9-12-27)22(28)25-20-5-6-20/h2-4,7,10,13-14,18,20H,5-6,8-9,11-12,15H2,1H3,(H,25,28)(H,26,29)
PubChem CID129626121
ChEMBLCHEMBL3899041
IUPHARN/A
BindingDB243774
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5056.0 nM, NoneBindingDB,ChEMBL

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