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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

NameCHEMBL472051
Molecular formulaC21H23FN2O2
IUPAC nameN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-methylbenzamide
Molecular weight354.425
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50413242
Inchi KeyBWLHARFSGUIYFJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23FN2O2/c1-24(21(26)15-9-3-2-4-10-15)19(17-13-7-8-14-18(17)22)20(25)23-16-11-5-6-12-16/h2-4,7-10,13-14,16,19H,5-6,11-12H2,1H3,(H,23,25)
PubChem CID44590401
ChEMBLCHEMBL472051
IUPHARN/A
BindingDB50413242
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID19171482BindingDB,ChEMBL

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