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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

NameCHEMBL62033
Molecular formulaC24H24N4O3
IUPAC name3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carbonitrile
Molecular weight416.481
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.5
SynonymsBDBM50100229
7-Cyano-3-[2-(6-methoxy-2,3,3abeta,4,5,9bbeta-hexahydro-1H-benzo[e]isoindole-2-yl)ethyl]quinazoline-2,4(1H,3H)-dione
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-7-carbonitrile
Inchi KeyAROSMOXZDJFPHJ-OXJNMPFZSA-N
Inchi IDInChI=1S/C24H24N4O3/c1-31-22-4-2-3-17-18(22)8-6-16-13-27(14-20(16)17)9-10-28-23(29)19-7-5-15(12-25)11-21(19)26-24(28)30/h2-5,7,11,16,20H,6,8-10,13-14H2,1H3,(H,26,30)/t16-,20+/m0/s1
PubChem CID10693231
ChEMBLCHEMBL62033
IUPHARN/A
BindingDB50100229
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd0.1479 nMPMID11384242ChEMBL

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