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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

NameCHEMBL19376
Molecular formulaC19H28N6O3
IUPAC name(2S)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide
Molecular weight388.472
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP1.3
Synonyms(S)-1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-3-(1,1-dimethylethylamino)carbonyl piperazine
SCHEMBL6442462
(S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazine-2-carboxylic acid tert-butylamide
BDBM50063908
(2S)-N-tert-Butyl-4-(4-amino-6,7-dimethoxyquinazoline-2-yl)piperazine-2alpha-carboxamide
[ Show all ]
Inchi KeyFACJCZHMOYUSSW-ZDUSSCGKSA-N
Inchi IDInChI=1S/C19H28N6O3/c1-19(2,3)24-17(26)13-10-25(7-6-21-13)18-22-12-9-15(28-5)14(27-4)8-11(12)16(20)23-18/h8-9,13,21H,6-7,10H2,1-5H3,(H,24,26)(H2,20,22,23)/t13-/m0/s1
PubChem CID10739024
ChEMBLCHEMBL19376
IUPHARN/A
BindingDB50063908
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501700.0 nMPMID9548811BindingDB,ChEMBL
Ki830.0 nMPMID9548811BindingDB,ChEMBL

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