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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

NameCHEMBL3355964
Molecular formulaC28H35Cl2FN4O
IUPAC name1-[(2R)-1-(3,4-dichlorophenyl)-4-[4-(2-ethyl-6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-2-yl]-3-ethylurea
Molecular weight533.513
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP6.7
SynonymsBDBM50041090
Inchi KeyKVUCRPZZSWTVEJ-NRFANRHFSA-N
Inchi IDInChI=1S/C28H35Cl2FN4O/c1-3-25-27(22-7-6-20(31)17-26(22)34-25)19-9-12-35(13-10-19)14-11-21(33-28(36)32-4-2)15-18-5-8-23(29)24(30)16-18/h5-8,16-17,19,21,34H,3-4,9-15H2,1-2H3,(H2,32,33,36)/t21-/m0/s1
PubChem CID118721204
ChEMBLCHEMBL3355964
IUPHARN/A
BindingDB50041090
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki64.0 nMPMID25497216BindingDB,ChEMBL

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