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GPCR

NameAlpha-1A adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdra1a
Synonymalpha1c
alpha1A-adrenoceptor
alpha1a
Alpha-1C adrenergic receptor
Alpha-1A adrenoreceptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length466
Amino acid sequenceMVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProtP43140
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL319
IUPHAR22
DrugBankN/A

Ligand

Namep-Coumaroylagmatine
Molecular formulaC14H20N4O2
IUPAC name(E)-N-[4-(diaminomethylideneamino)butyl]-3-(4-hydroxyphenyl)prop-2-enamide
Molecular weight276.34
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP0.4
Synonyms(2E)-N-(4-carbamimidamidobutyl)-3-(4-hydroxyphenyl)prop-2-enamide
7295-86-5
coumaroylagmatine
SCHEMBL20291476
(E)-N-(4-guanidinobutyl)-4-hydroxycinnamamide
[ Show all ]
Inchi KeyAKIHYQWCLCDMMI-VMPITWQZSA-N
Inchi IDInChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+
PubChem CID5280691
ChEMBLCHEMBL568603
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<100000000.0 nMPMID19762239ChEMBL
IC5057600000.0 nMPMID19762239ChEMBL

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