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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameAlpha-1A adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA1A
Synonymalpha1a
ADRA1C
ADRA1L1
adrenergic alpha 1c receptor
adrenergic receptor alpha 1c
[ Show all ]
DiseaseUrinary incontinence
Benign prostatic hyperplasia
Cognitive disorders
Female sexual dysfunction
Glaucoma
[ Show all ]
Length466
Amino acid sequenceMVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProtP35348
Protein Data BankN/A
GPCR-HGmod modelP35348
3D structure modelThis predicted structure model is from GPCR-EXP P35348.
BioLiPN/A
Therapeutic Target DatabaseT92609
ChEMBLCHEMBL229
IUPHAR22
DrugBankBE0000501

Ligand

NameCHEMBL382972
Molecular formulaC26H31NO5
IUPAC nameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(2-methylphenyl)methoxy]phenoxy]ethanamine
Molecular weight437.536
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsN/A
Inchi KeyBGFYEOBLDYCILL-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31NO5/c1-20-9-4-5-10-21(20)19-32-23-12-7-6-11-22(23)30-17-15-27-16-18-31-26-24(28-2)13-8-14-25(26)29-3/h4-14,27H,15-19H2,1-3H3
PubChem CID11539392
ChEMBLCHEMBL382972
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
Ki1.585 nMPMID16302814ChEMBL

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