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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

NameCHEMBL338624
Molecular formulaC36H37ClF3N3O2
IUPAC name1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[3-(trifluoromethyl)phenyl]urea
Molecular weight636.156
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP7.8
SynonymsBDBM50117398
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(3-trifluoromethyl-phenyl)-urea
Inchi KeyBRPKVWBIDATEPI-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H37ClF3N3O2/c37-31-17-15-29(16-18-31)35(45)20-23-43(24-21-35)22-8-19-34(27-9-3-1-4-10-27,28-11-5-2-6-12-28)26-41-33(44)42-32-14-7-13-30(25-32)36(38,39)40/h1-7,9-18,25,45H,8,19-24,26H2,(H2,41,42,44)
PubChem CID11814253
ChEMBLCHEMBL338624
IUPHARN/A
BindingDB50117398
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
IC501410.0 nMPMID12166951BindingDB,ChEMBL

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