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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

NameNeocuproine
Molecular formulaC14H12N2
IUPAC name2,9-dimethyl-1,10-phenanthroline
Molecular weight208.264
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.3
Synonyms1,10-Phenanthroline, 2,9-dimethyl-
Oprea1_068014
2,9-Dimethylphenanthroline
ST2401773
AJ-11566
[ Show all ]
Inchi KeyIYRGXJIJGHOCFS-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
PubChem CID65237
ChEMBLCHEMBL375781
IUPHARN/A
BindingDB64740
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501584.89 nMPMID22957890BindingDB,ChEMBL
EC501600.0 nMPMID22957890BindingDB,ChEMBL
FC3.7 -PMID22957890ChEMBL
IC50<1000000.0 nMPMID22957890BindingDB,ChEMBL
IC50>1000000.0 nMPMID22957890ChEMBL
Ratio EC503.8 -PMID22957890ChEMBL

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