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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

NameCHEMBL1170648
Molecular formulaC36H59N9O8
IUPAC name(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight745.923
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP-3.1
SynonymsBDBM50322659
(S)-2-((S)-1-((S)-2-((2S,3R)-2-((S)-2-((S)-2-amino-3-phenylpropanamido)-4-methylpentanamido)-3-hydroxybutanamido)-4-methylpentanoyl)pyrrolidine-2-carboxamido)-5-guanidinopentanoic acid
Inchi KeyHZSQLKSIUVUHOR-GBUGJBKCSA-N
Inchi IDInChI=1S/C36H59N9O8/c1-20(2)17-26(42-30(47)24(37)19-23-11-7-6-8-12-23)31(48)44-29(22(5)46)33(50)43-27(18-21(3)4)34(51)45-16-10-14-28(45)32(49)41-25(35(52)53)13-9-15-40-36(38)39/h6-8,11-12,20-22,24-29,46H,9-10,13-19,37H2,1-5H3,(H,41,49)(H,42,47)(H,43,50)(H,44,48)(H,52,53)(H4,38,39,40)/t22-,24+,25+,26+,27+,28+,29+/m1/s1
PubChem CID49799153
ChEMBLCHEMBL1170648
IUPHARN/A
BindingDB50322659
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
EC5028840.0 nMPMID20527893BindingDB
EC5028840.3 nMPMID20527893ChEMBL
EC5029000.0 nMPMID20527893ChEMBL

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