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GPCR

NameC5a anaphylatoxin chemotactic receptor 1
SpeciesHomo sapiens (Human)
GeneC5AR1
Synonymcomplement component 5a receptor 1
complement C5a receptor
C5A
CD88
C5R1
[ Show all ]
DiseaseVasculitis
Atopic dermatitis
Inflammatory disease
Rheumatoid arthritis
Length350
Amino acid sequenceMDSFNYTTPDYGHYDDKDTLDLNTPVDKTSNTLRVPDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLSCLALPILFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPIWCQNFRGAGLAWIACAVAWGLALLLTIPSFLYRVVREEYFPPKVLCGVDYSHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSRRATRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIYVVAGQGFQGRLRKSLPSLLRNVLTEESVVRESKSFTRSTVDTMAQKTQAV
UniProtP21730
Protein Data Bank6c1r, 6c1q, 5o9h
GPCR-HGmod modelP21730
3D structure modelThis structure is from PDB ID 6c1r.
BioLiPBL0415511, BL0415514, BL0415513, BL0415512, BL0401194,BL0401195,BL0401196,
Therapeutic Target DatabaseT15439
ChEMBLCHEMBL2373
IUPHAR32
DrugBankN/A

Ligand

NameCHEMBL2372061
Molecular formulaC39H66N8O13
IUPAC name(2S)-2-hydroxy-N-[(6S,9R,16S,17S,20R,23S)-7-hydroxy-21-methoxy-6,20-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]-2-[(2R,5R,6R)-2-hydroxy-6-methyl-5-[(2S)-2-methylbutyl]oxan-2-yl]propanamide
Molecular weight855.0
Hydrogen bond acceptor15
Hydrogen bond donor7
XlogP1.7
SynonymsN/A
Inchi KeyBYISAIDNFPEXAA-FSBSUCEUSA-N
Inchi IDInChI=1S/C39H66N8O13/c1-10-22(4)19-26-15-16-39(56,60-25(26)7)38(8,55)37(54)43-30-31(21(2)3)59-36(53)24(6)47(58-9)34(51)28-14-12-17-41-44(28)29(48)20-40-32(49)23(5)46(57)33(50)27-13-11-18-42-45(27)35(30)52/h21-28,30-31,41-42,55-57H,10-20H2,1-9H3,(H,40,49)(H,43,54)/t22-,23-,24+,25+,26+,27+,28-,30-,31-,38+,39+/m0/s1
PubChem CID73348647
ChEMBLCHEMBL2372061
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity2.0 ug ml-1Bioorg. Med. Chem. Lett., (1992) 2:9:1033ChEMBL
MPO release2.0 ug ml-1Bioorg. Med. Chem. Lett., (1992) 2:9:1033ChEMBL

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