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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

NameCHEMBL551735
Molecular formulaC29H30FN3O3
IUPAC nameN-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide
Molecular weight487.575
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50297171
N-{(3R)-1-[(6-Fluoro-2-naphthyl)methyl]pyrrolidin-3-yl}-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide
Inchi KeyTVBOHVNCFNQWSW-RUZDIDTESA-N
Inchi IDInChI=1S/C29H30FN3O3/c30-24-8-7-22-15-21(5-6-23(22)17-24)18-32-12-11-25(19-32)31-28(35)16-20-9-13-33(14-10-20)29(36)26-3-1-2-4-27(26)34/h1-8,15-17,25,34H,9-14,18-19H2,(H,31,35)/t25-/m1/s1
PubChem CID44512617
ChEMBLCHEMBL551735
IUPHARN/A
BindingDB50297171
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50230.0 nMPMID19620010BindingDB,ChEMBL

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