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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

NameCHEMBL397717
Molecular formulaC39H36F6N4O2S
IUPAC nameN-[4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-oxobutan-2-yl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
Molecular weight738.793
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP7.8
SynonymsBDBM50198139
N-{4-[1-({[3,5-bis(trifluoromethyl)phenyl]methyl}carbamoyl)-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]propyl]-1,3-thiazol-2-yl}bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
Inchi KeyRLNPOKFCWGHIDM-NRUNXBEZSA-N
Inchi IDInChI=1S/C39H36F6N4O2S/c1-23-21-49(15-13-37(23)12-10-25-6-3-5-9-32(25)37)14-11-30(33-22-52-36(47-33)48-35(51)31-18-26-7-2-4-8-29(26)31)34(50)46-20-24-16-27(38(40,41)42)19-28(17-24)39(43,44)45/h2-10,12,16-17,19,22-23,30-31H,11,13-15,18,20-21H2,1H3,(H,46,50)(H,47,48,51)/t23-,30?,31?,37+/m0/s1
PubChem CID44425322
ChEMBLCHEMBL397717
IUPHARN/A
BindingDB50198139
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
IC50111.0 nMPMID17092717BindingDB,ChEMBL

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