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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

NameCHEMBL3736489
Molecular formulaC28H42N6O5
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-3-methyl-1-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight542.681
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP3.4
SynonymsN/A
Inchi KeyFCUFGTKWVJJAOR-VRJTXETASA-N
Inchi IDInChI=1S/C28H42N6O5/c1-16(2)13-19-8-10-20(11-9-19)18(5)24(35)33-22(14-17(3)4)26-34-23(15-39-26)25(36)32-21(27(37)38)7-6-12-31-28(29)30/h8-11,15-18,21-22H,6-7,12-14H2,1-5H3,(H,32,36)(H,33,35)(H,37,38)(H4,29,30,31)/t18?,21-,22-/m0/s1
PubChem CID127034743
ChEMBLCHEMBL3736489
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501023.29 nMPMID26522948ChEMBL
IC501030.0 nMPMID26522948ChEMBL

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