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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

NameCHEMBL2372087
Molecular formulaC45H70N8O13
IUPAC name(2S)-2-hydroxy-N-[(6S,9R,16S,17S,20R,23S)-21-hydroxy-6,20-dimethyl-2,5,8,15,19,22-hexaoxo-7-phenylmethoxy-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 weight931.098
Hydrogen bond acceptor15
Hydrogen bond donor7
XlogP3.2
SynonymsN/A
Inchi KeyDEZVAKJACVDRBV-DWHNIGDHSA-N
Inchi IDInChI=1S/C45H70N8O13/c1-9-27(4)23-32-19-20-45(62,66-30(32)7)44(8,61)43(60)49-36-37(26(2)3)65-42(59)29(6)52(63)39(56)33-17-13-21-47-50(33)35(54)24-46-38(55)28(5)53(64-25-31-15-11-10-12-16-31)40(57)34-18-14-22-48-51(34)41(36)58/h10-12,15-16,26-30,32-34,36-37,47-48,61-63H,9,13-14,17-25H2,1-8H3,(H,46,55)(H,49,60)/t27-,28-,29+,30+,32+,33-,34+,36-,37-,44+,45+/m0/s1
PubChem CID14735089
ChEMBLCHEMBL2372087
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
Activity4.0 ug ml-1Bioorg. Med. Chem. Lett., (1992) 2:9:1033ChEMBL
MPO release0.6 ug ml-1Bioorg. Med. Chem. Lett., (1992) 2:9:1033ChEMBL

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