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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

NameCHEMBL124583
Molecular formulaC26H27F2N3O
IUPAC name1-[2-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-(2,5-difluorophenyl)urea
Molecular weight435.519
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.2
SynonymsBDBM50117472
SCHEMBL6216421
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(2,5-difluoro-phenyl)-urea
Inchi KeyBGGVTZNDSREPFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27F2N3O/c27-22-10-11-23(28)25(17-22)30-26(32)29-24-9-5-4-8-21(24)18-31-14-12-20(13-15-31)16-19-6-2-1-3-7-19/h1-11,17,20H,12-16,18H2,(H2,29,30,32)
PubChem CID10928228
ChEMBLCHEMBL124583
IUPHARN/A
BindingDB50117472
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<50000.0 nMPMID12166951BindingDB,ChEMBL

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