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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

NameCHEMBL3355932
Molecular formulaC24H28F2N2S
IUPAC name2-ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indole
Molecular weight414.559
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM50041150
HUEVBCXRDKKBRQ-UHFFFAOYSA-N
2-Ethyl-6-fluoro-3-{1-[3-(4-fluoro-phenylsulfanyl)-propyl]-piperidin-4-yl}-1H-indole
SCHEMBL1097478
Inchi KeyHUEVBCXRDKKBRQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28F2N2S/c1-2-22-24(21-9-6-19(26)16-23(21)27-22)17-10-13-28(14-11-17)12-3-15-29-20-7-4-18(25)5-8-20/h4-9,16-17,27H,2-3,10-15H2,1H3
PubChem CID57718837
ChEMBLCHEMBL3355932
IUPHARN/A
BindingDB50041150
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki10.0 nMPMID25497216ChEMBL
Ki10.0 nMPMID25497216BindingDB

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