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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

NameCHEMBL481357
Molecular formulaC27H33N3O
IUPAC nameN-[2-(aminomethyl)phenyl]-2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
Molecular weight415.581
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.8
SynonymsBDBM50251810
N-(2-(aminomethyl)phenyl)-2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
Inchi KeyCWGFQZMJLFGWDN-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33N3O/c1-4-18-11-8-12-19(5-2)26(18)24-16-25(31-3)27-22(14-9-15-23(27)30-24)29-21-13-7-6-10-20(21)17-28/h6-8,10-13,16,22,29H,4-5,9,14-15,17,28H2,1-3H3
PubChem CID25191262
ChEMBLCHEMBL481357
IUPHARN/A
BindingDB50251810
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505000.0 nMPMID18595693BindingDB,ChEMBL

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