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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

NameBDBM50290463
Molecular formulaC28H43N7O3
IUPAC name2-[3-[3-[(2R)-3-cyclohexyl-1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-hydroxy-2-oxo-1H-imidazol-5-yl]propyl]guanidine
Molecular weight525.698
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.2
SynonymsN-[3-(1-{1-Cyclohexylmethyl-2-[4-(2,6-dimethyl-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-2,5-dioxo-imidazolidin-4-yl)-propyl]-guanidine
Inchi KeyDLAUTKGNEBSDJQ-HSZRJFAPSA-N
Inchi IDInChI=1S/C28H43N7O3/c1-19-8-6-9-20(2)24(19)33-14-16-34(17-15-33)26(37)23(18-21-10-4-3-5-11-21)35-25(36)22(32-28(35)38)12-7-13-31-27(29)30/h6,8-9,21,23,36H,3-5,7,10-18H2,1-2H3,(H,32,38)(H4,29,30,31)/t23-/m1/s1
PubChem CID91261187
ChEMBLN/A
IUPHARN/A
BindingDB50290463
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5040.0 nMN/ABindingDB
IC50220.0 nMN/ABindingDB

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