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GPCR

NameProbable C-C chemokine receptor type 3
SpeciesMus musculus (Mouse)
GeneCcr3
SynonymCC-CKR-3
MIP-1alphaRL-2 (mouse)
MIP-1 alpha RL2
Macrophage inflammatory protein 1-alpha receptor-like 2
CKR3
[ Show all ]
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMAFNTDEIKTVVESFETTPYEYEWAPPCEKVRIKELGSWLLPPLYSLVFIIGLLGNMMVVLILIKYRKLQIMTNIYLFNLAISDLLFLFTVPFWIHYVLWNEWGFGHYMCKMLSGFYYLALYSEIFFIILLTIDRYLAIVHAVFALRARTVTFATITSIITWGLAGLAALPEFIFHESQDSFGEFSCSPRYPEGEEDSWKRFHALRMNIFGLALPLLIMVICYSGIIKTLLRCPNKKKHKAIRLIFVVMIVFFIFWTPYNLVLLFSAFHSTFLETSCQQSKHLDLAMQVTEVIAYTHCCINPVIYAFVGERFRKHLRLFFHRNVAVYLGKYIPFLPGEKMERTSSVSPSTGEQEISVVF
UniProtP51678
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3406
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3355939
Molecular formulaC23H26F2N2OS
IUPAC name[6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
Molecular weight416.531
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50041181
Inchi KeyDTLONXZATYJNCF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26F2N2OS/c24-17-2-5-19(6-3-17)29-13-1-10-27-11-8-16(9-12-27)23-20-7-4-18(25)14-21(20)26-22(23)15-28/h2-7,14,16,26,28H,1,8-13,15H2
PubChem CID118721190
ChEMBLCHEMBL3355939
IUPHARN/A
BindingDB50041181
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki18.0 nMPMID25497216BindingDB,ChEMBL

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