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GPCR

NameC-C chemokine receptor type 1
SpeciesHomo sapiens (Human)
GeneCCR1
Synonymmacrophage inflammatory protein-1 alpha receptor
MIP-1alpha-R
MIP-1alpha/RANTES
MIP-1alphaR
MIP1aR
[ Show all ]
DiseaseAutoimmune diabetes
Rheumatoid arthritis
Chronic obstructive pulmonary disease
Length355
Amino acid sequenceMETPNTTEDYDTTTEFDYGDATPCQKVNERAFGAQLLPPLYSLVFVIGLVGNILVVLVLVQYKRLKNMTSIYLLNLAISDLLFLFTLPFWIDYKLKDDWVFGDAMCKILSGFYYTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIIIWALAILASMPGLYFSKTQWEFTHHTCSLHFPHESLREWKLFQALKLNLFGLVLPLLVMIICYTGIIKILLRRPNEKKSKAVRLIFVIMIIFFLFWTPYNLTILISVFQDFLFTHECEQSRHLDLAVQVTEVIAYTHCCVNPVIYAFVGERFRKYLRQLFHRRVAVHLVKWLPFLSVDRLERVSSTSPSTGEHELSAGF
UniProtP32246
Protein Data BankN/A
GPCR-HGmod modelP32246
3D structure modelThis predicted structure model is from GPCR-EXP P32246.
BioLiPN/A
Therapeutic Target DatabaseT16016
ChEMBLCHEMBL2413
IUPHAR58
DrugBankN/A

Ligand

NameCHEMBL2180512
Molecular formulaC25H31ClN2O2
IUPAC nameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,6-dimethylbenzamide
Molecular weight426.985
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50399221
Inchi KeyAALMJZSDFHYBPE-HSZRJFAPSA-N
Inchi IDInChI=1S/C25H31ClN2O2/c1-16(2)23(27-24(29)22-17(3)6-5-7-18(22)4)25(30)28-14-12-20(13-15-28)19-8-10-21(26)11-9-19/h5-11,16,20,23H,12-15H2,1-4H3,(H,27,29)/t23-/m1/s1
PubChem CID71452035
ChEMBLCHEMBL2180512
IUPHARN/A
BindingDB50399221
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50177.0 nMPMID23075267BindingDB,ChEMBL

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