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GPCR

NameC5a anaphylatoxin chemotactic receptor 1
SpeciesHomo sapiens (Human)
GeneC5AR1
SynonymCD88
complement component 5a receptor 1
C5a anaphylatoxin chemotactic receptor
C5aR1
C5R1
[ Show all ]
DiseaseVasculitis
Rheumatoid arthritis
Inflammatory disease
Atopic dermatitis
Length350
Amino acid sequenceMDSFNYTTPDYGHYDDKDTLDLNTPVDKTSNTLRVPDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLSCLALPILFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPIWCQNFRGAGLAWIACAVAWGLALLLTIPSFLYRVVREEYFPPKVLCGVDYSHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSRRATRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIYVVAGQGFQGRLRKSLPSLLRNVLTEESVVRESKSFTRSTVDTMAQKTQAV
UniProtP21730
Protein Data Bank6c1q, 6c1r, 5o9h
GPCR-HGmod modelP21730
3D structure modelThis structure is from PDB ID 6c1q.
BioLiPBL0415512, BL0415513, BL0415514, BL0401194,BL0401195,BL0401196,, BL0415511
Therapeutic Target DatabaseT15439
ChEMBLCHEMBL2373
IUPHAR32
DrugBankN/A

Ligand

NameCHEMBL456053
Molecular formulaC26H25ClN2O2S
IUPAC name2-(1-benzothiophen-3-yl)-5-[(4-chlorophenyl)methyl]-1-(1,4-dioxaspiro[4.5]decan-8-yl)imidazole
Molecular weight465.008
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.9
SynonymsBDBM50266204
2-(benzo[b]thiophen-3-yl)-5-(4-chlorobenzyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-imidazole
Inchi KeyBPTRIBNSVMBJGJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25ClN2O2S/c27-19-7-5-18(6-8-19)15-21-16-28-25(23-17-32-24-4-2-1-3-22(23)24)29(21)20-9-11-26(12-10-20)30-13-14-31-26/h1-8,16-17,20H,9-15H2
PubChem CID44581615
ChEMBLCHEMBL456053
IUPHARN/A
BindingDB50266204
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50500.0 nMPMID18804369BindingDB,ChEMBL

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