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GPCR

NameC-C chemokine receptor type 1
SpeciesMus musculus (Mouse)
GeneCcr1
SynonymMIP1aR
MIP-1alphaR
MIP-1alpha/RANTES
MIP-1alpha-R
macrophage inflammatory protein-1 alpha receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length355
Amino acid sequenceMEISDFTEAYPTTTEFDYGDSTPCQKTAVRAFGAGLLPPLYSLVFIIGVVGNVLVILVLMQHRRLQSMTSIYLFNLAVSDLVFLFTLPFWIDYKLKDDWIFGDAMCKLLSGFYYLGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGIITSIITWALAILASMPALYFFKAQWEFTHRTCSPHFPYKSLKQWKRFQALKLNLLGLILPLLVMIICYAGIIRILLRRPSEKKVKAVRLIFAITLLFFLLWTPYNLSVFVSAFQDVLFTNQCEQSKQLDLAMQVTEVIAYTHCCVNPIIYVFVGERFWKYLRQLFQRHVAIPLAKWLPFLSVDQLERTSSISPSTGEHELSAGF
UniProtP51675
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3872
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL196860
Molecular formulaC22H24ClFN4O2
IUPAC name[5-chloro-2-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]phenyl]urea
Molecular weight430.908
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50174707
SCHEMBL3174041
(R)-1-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)urea
Inchi KeySMUIBVXQXIDYSQ-FUVBFXSKSA-N
Inchi IDInChI=1S/C22H24ClFN4O2/c1-15-13-27(14-16-2-7-19(24)8-3-16)10-11-28(15)21(29)9-5-17-4-6-18(23)12-20(17)26-22(25)30/h2-9,12,15H,10-11,13-14H2,1H3,(H3,25,26,30)/b9-5+/t15-/m1/s1
PubChem CID9980155
ChEMBLCHEMBL196860
IUPHARN/A
BindingDB50174707
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50300.0 nMPMID16198561BindingDB,ChEMBL

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