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GPCR

NameC-C chemokine receptor type 3
SpeciesMacaca mulatta (Rhesus macaque)
GeneCCR3
SynonymC-C CKR-3
CC-CKR-3
CCR-3
CCR3
CKR3
DiseaseN/A for non-human GPCRs
Length355
Amino acid sequenceMTTSLDTVETFGPTSYDDDMGLLCEKADVGALIAQFVPPLYSLVFMVGLLGNVVVVMILIKYRRLRIMTNIYLLNLAISDLLFLFTLPFWIHYVRERNWVFSHGMCKVLSGFYHTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIVTWGLAVLAALPEFIFYGTEKLFPKTLCSAIYPQDTVYSWRHFHTLKMTILCLALPLLVMAICYTGIIKTLLRCPSKKKYKAIRLIFVIMAVFFIFWTPYNVAILISTYQSVLFGLDCERSKHLDLFVLATEVIAYSHCCVNPVIYAFVGERFRKYLRHFFHRHVLMHLGKYIPFLPSEKLERTSSVSPSTAEPELSIVF
UniProtP56483
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5176
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL178447
Molecular formulaC28H31Cl2N3O2
IUPAC name[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
Molecular weight512.475
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.4
Synonyms[(3S,4S)-4-(3,4-Dichloro-benzyl)-3-hydroxymethyl-[1,4'''']bipiperidinyl-1''''-yl]-quinolin-6-yl-methanone
BDBM50161407
SCHEMBL13389597
Inchi KeyBKSRLDUBSLBPQQ-OFNKIYASSA-N
Inchi IDInChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1
PubChem CID11466397
ChEMBLCHEMBL178447
IUPHARN/A
BindingDB50161407
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
Ki7.2 nMPMID15713390BindingDB,ChEMBL

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