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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

NameCHEMBL259645
Molecular formulaC29H33FN2O
IUPAC name2-(2,6-diethylphenyl)-5-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxy-5,6,7,8-tetrahydroquinoline
Molecular weight444.594
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.4
SynonymsBDBM50376791
Inchi KeyBITMMNNWKLCYEN-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33FN2O/c1-4-19-8-6-9-20(5-2)28(19)25-17-27(33-3)29-24(31-25)10-7-11-26(29)32-15-14-21-12-13-23(30)16-22(21)18-32/h6,8-9,12-13,16-17,26H,4-5,7,10-11,14-15,18H2,1-3H3
PubChem CID25192764
ChEMBLCHEMBL259645
IUPHARN/A
BindingDB50376791
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50880.0 nMPMID18378452BindingDB,ChEMBL

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