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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

NameCHEMBL479557
Molecular formulaC26H31N3O2
IUPAC name[3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]pyridin-4-yl]methanol
Molecular weight417.553
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.0
Synonyms(3-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-ylamino)pyridin-4-yl)methanol
BDBM50251461
SCHEMBL13943975
Inchi KeyAPBZRDZUJOBALE-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31N3O2/c1-4-17-8-6-9-18(5-2)25(17)22-14-24(31-3)26-20(28-22)10-7-11-21(26)29-23-15-27-13-12-19(23)16-30/h6,8-9,12-15,21,29-30H,4-5,7,10-11,16H2,1-3H3
PubChem CID25191129
ChEMBLCHEMBL479557
IUPHARN/A
BindingDB50251461
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC503500.0 nMPMID18595693BindingDB,ChEMBL

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