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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

NameCHEMBL481755
Molecular formulaC27H29F3N2O
IUPAC name2-(2,6-diethylphenyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-amine
Molecular weight454.537
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP7.3
SynonymsBDBM50251845
2-(2,6-diethylphenyl)-4-methoxy-N-(2-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroquinolin-5-amine
Inchi KeyAESSRSHXFGCUGF-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29F3N2O/c1-4-17-10-8-11-18(5-2)25(17)23-16-24(33-3)26-21(14-9-15-22(26)32-23)31-20-13-7-6-12-19(20)27(28,29)30/h6-8,10-13,16,21,31H,4-5,9,14-15H2,1-3H3
PubChem CID44568166
ChEMBLCHEMBL481755
IUPHARN/A
BindingDB50251845
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID18595693BindingDB,ChEMBL

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