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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

NameCHEMBL2398754
Molecular formulaC27H33Cl2N3O3
IUPAC nameN-[(2R)-1-[(4S)-4-acetamido-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
Molecular weight518.479
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50436311
Inchi KeyCNSUJCFAXKWWJD-KCWPFWIISA-N
Inchi IDInChI=1S/C27H33Cl2N3O3/c1-17(2)23(30-24(34)19-6-10-21(28)11-7-19)25(35)32-15-14-27(31-18(3)33,26(4,5)16-32)20-8-12-22(29)13-9-20/h6-13,17,23H,14-16H2,1-5H3,(H,30,34)(H,31,33)/t23-,27+/m1/s1
PubChem CID73345959
ChEMBLCHEMBL2398754
IUPHARN/A
BindingDB50436311
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<8333.0 nMPMID23707259BindingDB,ChEMBL

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