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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

NameCHEMBL261277
Molecular formulaC32H36N2O2
IUPAC name2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
Molecular weight480.652
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP7.7
SynonymsBDBM50376812
SCHEMBL13925299
Inchi KeyCIGDMCHLABXMIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H36N2O2/c1-6-21-12-10-13-22(7-2)31(21)26-20-30(36-5)32-25(33-26)16-11-17-28(32)34(3)27-18-19-29(35-4)24-15-9-8-14-23(24)27/h8-10,12-15,18-20,28H,6-7,11,16-17H2,1-5H3
PubChem CID25192491
ChEMBLCHEMBL261277
IUPHARN/A
BindingDB50376812
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50530.0 nMPMID18378452BindingDB,ChEMBL

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