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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

NameCHEMBL513247
Molecular formulaC26H27ClN2O3
IUPAC nameN-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)isoquinoline-4-carboxamide
Molecular weight450.963
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50275776
N-(4-chlorophenethyl)-N-(1,4-dioxaspiro[4.5]decan-8-yl)isoquinoline-4-carboxamide
Inchi KeyDEVBBISJUZSUQK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27ClN2O3/c27-21-7-5-19(6-8-21)11-14-29(22-9-12-26(13-10-22)31-15-16-32-26)25(30)24-18-28-17-20-3-1-2-4-23(20)24/h1-8,17-18,22H,9-16H2
PubChem CID44589862
ChEMBLCHEMBL513247
IUPHARN/A
BindingDB50275776
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50400.0 nMPMID18809326BindingDB,ChEMBL

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