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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

NameCHEMBL339127
Molecular formulaC43H77N13O12S
IUPAC name(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-cyclohexylpropanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight1000.23
Hydrogen bond acceptor16
Hydrogen bond donor14
XlogP-6.2
SynonymsBDBM50008379
H-Cha-Lys-AspMet-GIn-Leu-Gly-Arg-OH
Inchi KeyAMMJRJPLBBPKBU-AILGIMQKSA-N
Inchi IDInChI=1S/C43H77N13O12S/c1-24(2)20-31(37(62)50-23-34(58)51-30(42(67)68)13-9-18-49-43(47)48)55-39(64)28(14-15-33(46)57)53-40(65)29(16-19-69-3)54-41(66)32(22-35(59)60)56-38(63)27(12-7-8-17-44)52-36(61)26(45)21-25-10-5-4-6-11-25/h24-32H,4-23,44-45H2,1-3H3,(H2,46,57)(H,50,62)(H,51,58)(H,52,61)(H,53,65)(H,54,66)(H,55,64)(H,56,63)(H,59,60)(H,67,68)(H4,47,48,49)/t26-,27+,28+,29+,30+,31+,32+/m1/s1
PubChem CID44353033
ChEMBLCHEMBL339127
IUPHARN/A
BindingDB50008379
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
Ki13000.0 nMPMID1732557BindingDB,ChEMBL

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