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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

NameCHEMBL1170643
Molecular formulaC34H57N9O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight719.885
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP-2.6
Synonyms(2S,5S,8S,11S,14S,17S)-17-amino-8-butyl-2-(3-guanidinopropyl)-11-((R)-1-hydroxyethyl)-14-isobutyl-5-methyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecan-1-oic acid
BDBM50322658
Inchi KeyMKKGEZVOKSJLHB-XCPBJYSRSA-N
Inchi IDInChI=1S/C34H57N9O8/c1-6-7-14-24(30(47)39-20(4)28(45)41-25(33(50)51)15-11-16-38-34(36)37)40-32(49)27(21(5)44)43-31(48)26(17-19(2)3)42-29(46)23(35)18-22-12-9-8-10-13-22/h8-10,12-13,19-21,23-27,44H,6-7,11,14-18,35H2,1-5H3,(H,39,47)(H,40,49)(H,41,45)(H,42,46)(H,43,48)(H,50,51)(H4,36,37,38)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
PubChem CID46855776
ChEMBLCHEMBL1170643
IUPHARN/A
BindingDB50322658
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
EC502630.0 nMPMID20527893BindingDB
EC502630.27 nMPMID20527893ChEMBL
EC502700.0 nMPMID20527893ChEMBL

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