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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

NameSK&F-106686
Molecular formulaC14H16ClNS
IUPAC name7-chloro-2-ethyl-11-methyl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
Molecular weight265.799
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.3
SynonymsCHEMBL123448
2-Ethyl-4-methyl-7-chloro-3,4,5,6-tetrahydrothieno[4,3,2-ef][3]benzazepine
BDBM50030615
D07QCC
5-Chloro-1-ethyl-8-methyl-6,7,8,9-tetrahydro-2-thia-8-aza-benzo[cd]azulene
[ Show all ]
Inchi KeyBAAUEDJUTZLMAN-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h4-5H,3,6-8H2,1-2H3
PubChem CID10946567
ChEMBLCHEMBL123448
IUPHARN/A
BindingDB50030615
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki58.0 nMPMID7562902BindingDB,ChEMBL

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