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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

NameCHEMBL3646988
Molecular formulaC27H32N2
IUPAC name2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine
Molecular weight384.567
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP6.9
SynonymsBDBM134555
SCHEMBL14663108
US8846656, 40-L
Inchi KeyCCTAROKFVVAOQE-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N2/c1-6-21-9-8-10-22(7-2)27(21)25-16-19(4)23-17-29(14-13-24(23)28-25)26-12-11-18(3)15-20(26)5/h8-12,15-16H,6-7,13-14,17H2,1-5H3
PubChem CID71240648
ChEMBLCHEMBL3646988
IUPHARN/A
BindingDB134555
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50180.0 nM, NoneBindingDB,ChEMBL

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