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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

NameCHEMBL2112830
Molecular formulaC29H32N2O
IUPAC name5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-2,2-diphenylpentanenitrile
Molecular weight424.588
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50408772
SCHEMBL9106344
Inchi KeyAOAGDADXAKNKDD-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32N2O/c30-23-29(26-13-6-2-7-14-26,27-15-8-3-9-16-27)17-10-20-31-21-18-28(24-32,19-22-31)25-11-4-1-5-12-25/h1-9,11-16,32H,10,17-22,24H2
PubChem CID10693630
ChEMBLCHEMBL2112830
IUPHARN/A
BindingDB50408772
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7500.0 nMPMID10579830BindingDB,ChEMBL

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