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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

NameBDBM50081825
Molecular formulaC38H46N6O4
IUPAC name6-(4-aminobutyl)-5-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-methyl-4-(4-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxamide
Molecular weight650.824
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.3
Synonyms2-(4-Amino-butyl)-6-methyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 5-amide 3-{[3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide}
Inchi KeyBERGTWZFNNPONR-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H46N6O4/c1-27-33(36(40)45)34(28-16-18-31(19-17-28)44(47)48)35(32(42-27)15-8-9-22-39)37(46)41-23-10-24-43-25-20-38(21-26-43,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,16-19,33-34H,8-10,15,20-26,39H2,1H3,(H2,40,45)(H,41,46)
PubChem CID91931168
ChEMBLN/A
IUPHARN/A
BindingDB50081825
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4.4 nMPMID10522703BindingDB

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