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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

NameCHEMBL460167
Molecular formulaC28H27ClN2O2
IUPAC name5-[(4-chlorophenyl)methyl]-1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-naphthalen-1-ylimidazole
Molecular weight458.986
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.1
SynonymsBDBM50266169
5-(4-chlorobenzyl)-2-(naphthalen-1-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-imidazole
Inchi KeyCBMWBVOLPFQNKP-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27ClN2O2/c29-22-10-8-20(9-11-22)18-24-19-30-27(26-7-3-5-21-4-1-2-6-25(21)26)31(24)23-12-14-28(15-13-23)32-16-17-33-28/h1-11,19,23H,12-18H2
PubChem CID44581575
ChEMBLCHEMBL460167
IUPHARN/A
BindingDB50266169
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5090.0 nMPMID18804369BindingDB,ChEMBL
IC50877.0 nMPMID18804369BindingDB,ChEMBL

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