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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

NameCHEMBL87699
Molecular formulaC19H19N3O
IUPAC nameN-(4-amino-2-methylquinolin-6-yl)-3-phenylpropanamide
Molecular weight305.381
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50444729
N-(4-Amino-2-methyl-6-quinolinyl)-3-phenylpropanamide
Inchi KeyCANDCUWSRJILKW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19N3O/c1-13-11-17(20)16-12-15(8-9-18(16)21-13)22-19(23)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12H,7,10H2,1H3,(H2,20,21)(H,22,23)
PubChem CID15133398
ChEMBLCHEMBL87699
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<100.0 ug.mL-1PMID1310118ChEMBL

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