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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

NameCHEMBL143029
Molecular formulaC29H31ClN2O2
IUPAC name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-phenylmethoxyphenyl)pentanenitrile
Molecular weight475.029
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.6
SynonymsSCHEMBL9107447
Inchi KeyADQMDQVZOSPWJP-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31ClN2O2/c30-26-14-12-25(13-15-26)29(33)16-19-32(20-17-29)18-6-9-24(21-31)27-10-4-5-11-28(27)34-22-23-7-2-1-3-8-23/h1-5,7-8,10-15,24,33H,6,9,16-20,22H2
PubChem CID10576513
ChEMBLCHEMBL143029
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition46.0 %PMID10579830ChEMBL

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