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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

NameCHEMBL145894
Molecular formulaC36H40F2N4O4
IUPAC namemethyl 4-(3,4-difluorophenyl)-6-methyl-3-[3-[4-(2-methylphenyl)-4-(4-methylphenyl)piperidin-1-yl]propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate
Molecular weight630.737
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.6
Synonyms1-[[3-[4-(2-Methylphenyl)-4-(4-methylphenyl)piperidino]propyl]carbamoyl]-2-oxo-4-methyl-6-(3,4-difluorophenyl)-1,2,3,6-tetrahydropyrimidine-5-carboxylic acid methyl ester
BDBM50082827
4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-3-[3-(4-o-tolyl-4-p-tolyl-piperidin-1-yl)-propylcarbamoyl]-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
Inchi KeyARVUOFMRSSPQPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H40F2N4O4/c1-23-10-13-27(14-11-23)36(28-9-6-5-8-24(28)2)16-20-41(21-17-36)19-7-18-39-34(44)42-32(26-12-15-29(37)30(38)22-26)31(33(43)46-4)25(3)40-35(42)45/h5-6,8-15,22,32H,7,16-21H2,1-4H3,(H,39,44)(H,40,45)
PubChem CID10651636
ChEMBLCHEMBL145894
IUPHARN/A
BindingDB50082827
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki0.06 nMPMID10579841BindingDB,ChEMBL

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