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GPCR

NameC-C chemokine receptor type 2
SpeciesMus musculus (Mouse)
GeneCcr2
SynonymJE/FIC receptor
CKR2
chemokine receptor CCR2
chemokine (C-C motif) receptor 2
CD192
[ Show all ]
DiseaseN/A for non-human GPCRs
Length373
Amino acid sequenceMEDNNMLPQFIHGILSTSHSLFTRSIQELDEGATTPYDYDDGEPCHKTSVKQIGAWILPPLYSLVFIFGFVGNMLVIIILIGCKKLKSMTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVITSVVTWVVAVFASLPGIIFTKSKQDDHHYTCGPYFTQLWKNFQTIMRNILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLFLTTFQESLGMSNCVIDKHLDQAMQVTETLGMTHCCINPVIYAFVGEKFRRYLSIFFRKHIAKRLCKQCPVFYRETADRVSSTFTPSTGEQEVSVGL
UniProtP51683
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5412
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL231150
Molecular formulaC39H38F6N4O2S
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-2-[2-(2-phenylpropanoylamino)-1,3-thiazol-4-yl]butanamide
Molecular weight740.809
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP8.8
SynonymsBDBM50198114
N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]-2-[2-(2-phenylpropanamido)-1,3-thiazol-4-yl]butanamide
Inchi KeyJWKLHPJIQARGDH-NYQRLVHPSA-N
Inchi IDInChI=1S/C39H38F6N4O2S/c1-24-22-49(17-15-37(24)14-12-28-10-6-7-11-32(28)37)16-13-31(33-23-52-36(47-33)48-34(50)25(2)27-8-4-3-5-9-27)35(51)46-21-26-18-29(38(40,41)42)20-30(19-26)39(43,44)45/h3-12,14,18-20,23-25,31H,13,15-17,21-22H2,1-2H3,(H,46,51)(H,47,48,50)/t24-,25?,31?,37+/m0/s1
PubChem CID44425321
ChEMBLCHEMBL231150
IUPHARN/A
BindingDB50198114
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50517.0 nMPMID17092717BindingDB,ChEMBL

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