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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

NameCHEMBL173708
Molecular formulaC22H23N3O2
IUPAC name1-[3-(4-methoxyphenyl)-4-phenylmethoxyphenyl]-2-methylguanidine
Molecular weight361.445
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50291459
N-(6-Benzyloxy-4''-methoxy-biphenyl-3-yl)-N''-methyl-guanidine
Inchi KeyBSFIJQQABLASDL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23N3O2/c1-24-22(23)25-18-10-13-21(27-15-16-6-4-3-5-7-16)20(14-18)17-8-11-19(26-2)12-9-17/h3-14H,15H2,1-2H3,(H3,23,24,25)
PubChem CID44383557
ChEMBLCHEMBL173708
IUPHARN/A
BindingDB50291459
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5054000.0 nM, Bioorg. Med. Chem. Lett., (1997) 7:7:907BindingDB,ChEMBL

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