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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

NameCHEMBL3890801
Molecular formulaC25H31ClN4O2
IUPAC name5-chloro-N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide
Molecular weight454.999
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.1
SynonymsSCHEMBL17270145
BDBM243763
US9428456, 1.094
Inchi KeyCLSCXDVSGIDHTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31ClN4O2/c26-20-9-10-23(27-16-20)25(32)29-22-8-4-5-18(15-22)17-30-13-11-19(12-14-30)24(31)28-21-6-2-1-3-7-21/h4-5,8-10,15-16,19,21H,1-3,6-7,11-14,17H2,(H,28,31)(H,29,32)
PubChem CID72703641
ChEMBLCHEMBL3890801
IUPHARN/A
BindingDB243763
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501.0 nM, NoneBindingDB,ChEMBL

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