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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

NameCHEMBL3735746
Molecular formulaC24H34N6O7
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S,2S)-1-[(2,3-dimethoxybenzoyl)amino]-2-methylbutyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight518.571
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.2
SynonymsSCHEMBL16154171
Inchi KeyCRYCJEWXDIHPKO-YEWWUXTCSA-N
Inchi IDInChI=1S/C24H34N6O7/c1-5-13(2)18(30-20(31)14-8-6-10-17(35-3)19(14)36-4)22-29-16(12-37-22)21(32)28-15(23(33)34)9-7-11-27-24(25)26/h6,8,10,12-13,15,18H,5,7,9,11H2,1-4H3,(H,28,32)(H,30,31)(H,33,34)(H4,25,26,27)/t13-,15-,18-/m0/s1
PubChem CID117634949
ChEMBLCHEMBL3735746
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50707.95 nMPMID26522948ChEMBL
IC50710.0 nMPMID26522948ChEMBL

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