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GPCR

NameC3a anaphylatoxin chemotactic receptor
SpeciesHomo sapiens (Human)
GeneC3AR1
SynonymC3a anaphylatoxin chemotactic receptor
C3a receptor
C3AR
anaphylatoxin C3a receptor
complement component 3a receptor 1
[ Show all ]
DiseaseN/A
Length482
Amino acid sequenceMASFSAETNSTDLLSQPWNEPPVILSMVILSLTFLLGLPGNGLVLWVAGLKMQRTVNTIWFLHLTLADLLCCLSLPFSLAHLALQGQWPYGRFLCKLIPSIIVLNMFASVFLLTAISLDRCLVVFKPIWCQNHRNVGMACSICGCIWVVAFVMCIPVFVYREIFTTDNHNRCGYKFGLSSSLDYPDFYGDPLENRSLENIVQPPGEMNDRLDPSSFQTNDHPWTVPTVFQPQTFQRPSADSLPRGSARLTSQNLYSNVFKPADVVSPKIPSGFPIEDHETSPLDNSDAFLSTHLKLFPSASSNSFYESELPQGFQDYYNLGQFTDDDQVPTPLVAITITRLVVGFLLPSVIMIACYSFIVFRMQRGRFAKSQSKTFRVAVVVVAVFLVCWTPYHIFGVLSLLTDPETPLGKTLMSWDHVCIALASANSCFNPFLYALLGKDFRKKARQSIQGILEAAFSEELTRSTHCPSNNVISERNSTTV
UniProtQ16581
Protein Data BankN/A
GPCR-HGmod modelQ16581
3D structure modelThis predicted structure model is from GPCR-EXP Q16581.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4761
IUPHAR31
DrugBankN/A

Ligand

NameCHEMBL3735774
Molecular formulaC23H32N6O7S
IUPAC name(2S)-2-[[2-[(1S)-1-(benzenesulfonylcarbonylamino)-3-methylbutyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight536.604
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.2
SynonymsN/A
Inchi KeyFSQQFAYXFZMRQR-IRXDYDNUSA-N
Inchi IDInChI=1S/C23H32N6O7S/c1-13(2)12-17(28-23(33)37(34,35)15-8-5-4-6-9-15)20-29-18(14(3)36-20)19(30)27-16(21(31)32)10-7-11-26-22(24)25/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3,(H,27,30)(H,28,33)(H,31,32)(H4,24,25,26)/t16-,17-/m0/s1
PubChem CID127034770
ChEMBLCHEMBL3735774
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition44.0 %PMID26522948ChEMBL
Inhibition103.0 %PMID26522948ChEMBL

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