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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

NameCHEMBL2021602
Molecular formulaC35H59N9O7
IUPAC name(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight717.913
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP-1.5
SynonymsBDBM50416364
Inchi KeyJAAXWYFOBPFPPX-LADDKRDHSA-N
Inchi IDInChI=1S/C35H59N9O7/c1-19(2)16-26(31(47)40-22(7)29(45)41-25(34(50)51)14-11-15-39-35(37)38)43-33(49)28(21(5)6)44-32(48)27(17-20(3)4)42-30(46)24(36)18-23-12-9-8-10-13-23/h8-10,12-13,19-22,24-28H,11,14-18,36H2,1-7H3,(H,40,47)(H,41,45)(H,42,46)(H,43,49)(H,44,48)(H,50,51)(H4,37,38,39)/t22-,24-,25+,26-,27-,28-/m0/s1
PubChem CID70687669
ChEMBLCHEMBL2021602
IUPHARN/A
BindingDB50416364
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC5057000.0 nMPMID20527893ChEMBL
EC5057544.0 nMPMID20527893ChEMBL
EC5057544.0 nMPMID20527893BindingDB

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