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GPCR

NameC5a anaphylatoxin chemotactic receptor 1
SpeciesCavia porcellus (Guinea pig)
GeneC5AR1
SynonymC5a anaphylatoxin chemotactic receptor
C5a-R
C5aR
DiseaseN/A for non-human GPCRs
Length345
Amino acid sequenceMMVTVSYDYDYNSTFLPDGFVDNYVERLSFGDLVAVVIMVVVFLVGVPGNALVVWVTACEARRHINAIWFLNLAAADLLSCLALPILLVSTVHLNHWYFGDTACKVLPSLILLNMYTSILLLATISADRLLLVLSPIWCQRFRGGCLAWTACGLAWVLALLLSSPSFLYRRTHNEHFSFKVYCVTDYGRDISKERAVALVRLLVGFIVPLITLTACYTFLLLRTWSRKATRSAKTVKVVVAVVSSFFVFWLPYQVTGILLAWHSPNSATYRNTKALDAVCVAFAYINCCINPIIYVVAGHGFQGRLLKSLPSVLRNVLTEESLDKRHQSFARSTVDTMPQKSESV
UniProtO70129
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2861
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL406011
Molecular formulaC55H85N15O16S
IUPAC name(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-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]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight1244.43
Hydrogen bond acceptor20
Hydrogen bond donor18
XlogP-7.7
SynonymsTyr-Ser-Phe-LyS-Asp-Met-Glu-Leu-Gly-Arg
BDBM50033562
Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-Gly-Arg
157952-15-3
Inchi KeyZEWLJLWJGKUOCE-UTALAWHWSA-N
Inchi IDInChI=1S/C55H85N15O16S/c1-30(2)24-39(47(78)62-28-44(74)63-38(54(85)86)13-9-22-61-55(59)60)67-49(80)36(18-19-43(58)73)65-50(81)37(20-23-87-3)66-52(83)41(27-45(75)76)69-48(79)35(12-7-8-21-56)64-51(82)40(26-31-10-5-4-6-11-31)68-53(84)42(29-71)70-46(77)34(57)25-32-14-16-33(72)17-15-32/h4-6,10-11,14-17,30,34-42,71-72H,7-9,12-13,18-29,56-57H2,1-3H3,(H2,58,73)(H,62,78)(H,63,74)(H,64,82)(H,65,81)(H,66,83)(H,67,80)(H,68,84)(H,69,79)(H,70,77)(H,75,76)(H,85,86)(H4,59,60,61)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
PubChem CID10396578
ChEMBLCHEMBL406011
IUPHARN/A
BindingDB50033562
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
pD24.51 -PMID7932541ChEMBL

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