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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

NameCHEMBL374912
Molecular formulaC54H86N14O13S
IUPAC name(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight1171.43
Hydrogen bond acceptor17
Hydrogen bond donor16
XlogP-2.5
SynonymsBDBM50033564
Tyr-Ser-Phe-Lys-Gly-Met-Leu-Leu-Gly-Arg
Inchi KeyVLTFYLYXMZPPGW-AQJXLSMYSA-N
Inchi IDInChI=1S/C54H86N14O13S/c1-31(2)24-40(48(75)61-29-45(72)63-39(53(80)81)15-11-22-59-54(57)58)65-50(77)41(25-32(3)4)66-49(76)38(20-23-82-5)62-44(71)28-60-47(74)37(14-9-10-21-55)64-51(78)42(27-33-12-7-6-8-13-33)67-52(79)43(30-69)68-46(73)36(56)26-34-16-18-35(70)19-17-34/h6-8,12-13,16-19,31-32,36-43,69-70H,9-11,14-15,20-30,55-56H2,1-5H3,(H,60,74)(H,61,75)(H,62,71)(H,63,72)(H,64,78)(H,65,77)(H,66,76)(H,67,79)(H,68,73)(H,80,81)(H4,57,58,59)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
PubChem CID10464012
ChEMBLCHEMBL374912
IUPHARN/A
BindingDB50033564
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
EC5070000.0 nMPMID7658455BindingDB,ChEMBL
pD25.0 -PMID7932541ChEMBL
pD25.34 -PMID7932541ChEMBL

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