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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

NameCHEMBL3905756
Molecular formulaC23H33N3O2
IUPAC nameN-cyclohexyl-1-[[3-(cyclopropanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide
Molecular weight383.536
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM243534
US9428456, 1.149
Inchi KeyANAKEUROGJMVBU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H33N3O2/c27-22(18-9-10-18)25-21-8-4-5-17(15-21)16-26-13-11-19(12-14-26)23(28)24-20-6-2-1-3-7-20/h4-5,8,15,18-20H,1-3,6-7,9-14,16H2,(H,24,28)(H,25,27)
PubChem CID129625972
ChEMBLCHEMBL3905756
IUPHARN/A
BindingDB243534
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5081.0 nM, NoneBindingDB,ChEMBL

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