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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

NameCHEMBL3099957
Molecular formulaC23H25ClN2O3S
IUPAC name(2S)-1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol
Molecular weight444.974
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50444992
SCHEMBL5427320
SCHEMBL5427323
Inchi KeyCVGAXTRRJOEDEZ-SFHVURJKSA-N
Inchi IDInChI=1S/C23H25ClN2O3S/c1-15-25-22-20(3-2-4-21(22)30-15)28-14-18(27)13-26-9-7-23(8-10-26)12-16-11-17(24)5-6-19(16)29-23/h2-6,11,18,27H,7-10,12-14H2,1H3/t18-/m0/s1
PubChem CID69437067
ChEMBLCHEMBL3099957
IUPHARN/A
BindingDB50444992
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501300.0 nMPMID24332486BindingDB,ChEMBL

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