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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

NameCHEMBL305486
Molecular formulaC29H45N7O3
IUPAC name2-[3-[(4R)-1-[(2R)-3-cyclohexyl-1-oxo-1-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propan-2-yl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine
Molecular weight539.725
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.7
SynonymsN/A
Inchi KeyDOTDYCMVAYBQQF-ILBGXUMGSA-N
Inchi IDInChI=1S/C29H45N7O3/c1-20(2)22-11-6-7-13-24(22)34-15-17-35(18-16-34)27(38)25(19-21-9-4-3-5-10-21)36-26(37)23(33-29(36)39)12-8-14-32-28(30)31/h6-7,11,13,20-21,23,25H,3-5,8-10,12,14-19H2,1-2H3,(H,33,39)(H4,30,31,32)/t23-,25-/m1/s1
PubChem CID44308881
ChEMBLCHEMBL305486
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition14.0 %Bioorg. Med. Chem. Lett., (1997) 7:2:213ChEMBL

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