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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

NameCHEMBL230034
Molecular formulaC24H26N4O4
IUPAC name(2S)-2-[(5-benzhydrylfuran-2-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight434.496
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.8
SynonymsZINC28707108
BDBM50422988
SCHEMBL14090793
Inchi KeyKQTJPESSNDKYIC-SFHVURJKSA-N
Inchi IDInChI=1S/C24H26N4O4/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13-14,18,21H,7,12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-/m0/s1
PubChem CID17753143
ChEMBLCHEMBL230034
IUPHARN/A
BindingDB50422988
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC50158.49 nMPMID17467987ChEMBL
IC5050.0 nMPMID25259874BindingDB
IC5050.12 nMPMID25259874ChEMBL
IC5055.0 nMPMID25259874BindingDB,ChEMBL
IC5063.0 nMPMID17467987BindingDB
IC5063.1 nMPMID17467987ChEMBL
IC501800.0 nMPMID25259874BindingDB,ChEMBL
IC501995.0 nMPMID25259874BindingDB
IC501995.26 nMPMID25259874ChEMBL

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