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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

NameCHEMBL3647040
Molecular formulaC27H30N4
IUPAC name4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
Molecular weight410.565
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM25051
US8846656, 43-D
Inchi KeyBEBIYJTWHGHJDC-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30N4/c1-16(2)20-7-6-17(3)25(13-20)31-11-9-23-22(15-31)18(4)12-24(30-23)26-19(5)14-29-27-21(26)8-10-28-27/h6-8,10,12-14,16H,9,11,15H2,1-5H3,(H,28,29)
PubChem CID91618193
ChEMBLCHEMBL3647040
IUPHARN/A
BindingDB25051
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50802.0 nM, NoneBindingDB,ChEMBL

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