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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

NameCHEMBL68581
Molecular formulaC26H32N4O3
IUPAC nameN-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]quinoxaline-2-carboxamide
Molecular weight448.567
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.6
SynonymsBDBM50144391
Quinoxaline-2-carboxylic acid ((1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-methylcarbamoyl-heptyl)-amide
Inchi KeyBZGNSHZZBYWLGG-UCFCWBNQSA-N
Inchi IDInChI=1S/C26H32N4O3/c1-17(2)13-19(25(32)27-3)15-24(31)22(14-18-9-5-4-6-10-18)30-26(33)23-16-28-20-11-7-8-12-21(20)29-23/h4-12,16-17,19,22,24,31H,13-15H2,1-3H3,(H,27,32)(H,30,33)/t19-,22+,24+/m1/s1
PubChem CID44309074
ChEMBLCHEMBL68581
IUPHARN/A
BindingDB50144391
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5064.0 nMPMID15081002BindingDB,ChEMBL

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