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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

NameCHEMBL196908
Molecular formulaC23H23ClFN3O2
IUPAC nameN-[5-chloro-2-[(E)-3-[(1R,4R)-5-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxoprop-1-enyl]phenyl]acetamide
Molecular weight427.904
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50174719
N-(2-(3-((1R,4R)-5-(4-fluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptan-2-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
Inchi KeyAZIFSAXAWNUTJQ-ILWFSMKMSA-N
Inchi IDInChI=1S/C23H23ClFN3O2/c1-15(29)26-22-10-18(24)6-4-17(22)5-9-23(30)28-14-20-11-21(28)13-27(20)12-16-2-7-19(25)8-3-16/h2-10,20-21H,11-14H2,1H3,(H,26,29)/b9-5+/t20-,21-/m1/s1
PubChem CID44405194
ChEMBLCHEMBL196908
IUPHARN/A
BindingDB50174719
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501700.0 nMPMID16198561BindingDB,ChEMBL

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