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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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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

NameCID 44309036
Molecular formulaC33H38N6O3
IUPAC name2-[3-[(4R)-1-[(2R)-3-naphthalen-2-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine
Molecular weight566.706
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.9
SynonymsN/A
Inchi KeyDFOXHMIEIXQOGI-VSGBNLITSA-N
Inchi IDInChI=1S/C33H38N6O3/c34-31(35)36-17-5-10-27-29(40)39(32(42)37-27)28(21-22-11-12-23-6-1-2-8-25(23)20-22)30(41)38-18-15-33(16-19-38)14-13-24-7-3-4-9-26(24)33/h1-4,6-9,11-12,20,27-28H,5,10,13-19,21H2,(H,37,42)(H4,34,35,36)/t27-,28-/m1/s1
PubChem CID44309036
ChEMBLCHEMBL307789
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC502000.0 nMBioorg. Med. Chem. Lett., (1997) 7:2:213ChEMBL
Inhibition67.0 %Bioorg. Med. Chem. Lett., (1997) 7:2:213ChEMBL

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