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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

NameCHEMBL420924
Molecular formulaC23H34N4O3
IUPAC nameN-[(3S,4S,5S,7R)-5-hydroxy-3,9-dimethyl-7-(methylcarbamoyl)decan-4-yl]quinoxaline-2-carboxamide
Molecular weight414.55
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.3
SynonymsBDBM50144398
Quinoxaline-2-carboxylic acid [(1S,2S,4R)-1-((S)-sec-butyl)-2-hydroxy-6-methyl-4-methylcarbamoyl-heptyl]-amide
Inchi KeyBFQFGBZTVCMUJM-GQSCTRQFSA-N
Inchi IDInChI=1S/C23H34N4O3/c1-6-15(4)21(20(28)12-16(11-14(2)3)22(29)24-5)27-23(30)19-13-25-17-9-7-8-10-18(17)26-19/h7-10,13-16,20-21,28H,6,11-12H2,1-5H3,(H,24,29)(H,27,30)/t15-,16+,20-,21-/m0/s1
PubChem CID44309222
ChEMBLCHEMBL420924
IUPHARN/A
BindingDB50144398
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504200.0 nMPMID15081002BindingDB,ChEMBL

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