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GPCR

NameAlpha-1A adrenergic receptor
SpeciesBos taurus (Bovine)
GeneADRA1A
SynonymAlpha-1A adrenoceptor
Alpha-1A adrenoreceptor
Alpha-1C adrenergic receptor
DiseaseN/A for non-human GPCRs
Length466
Amino acid sequenceMVFLSGNASDSSNCTHPPPPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNVWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQKRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLTIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAQVGGSGVTSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFRPSETVFKIAFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRKQSSKHTLGYTLHAPSHVLEGQHKDLVRIPVGSAETFYKISKTDGVCEWKIFSSLPRGSARMAVARDPSACTTARVRSKSFLQVCCCLGPSTPSHGENHQIPTIKIHTISLSENGEEV
UniProtP18130
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4892
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL346016
Molecular formulaC11H15NS
IUPAC name5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine
Molecular weight193.308
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP2.4
Synonyms112114-08-6
5H-Thieno[2,3-a]quinolizine, 4,7,8,9,10,10a-hexahydro-
4,7,8,9,10,10a-Hexahydro-5H-thieno[2,3-a]quinolizine
BDBM50018741
Inchi KeyJDQPKNAZHYFPQE-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H15NS/c1-2-6-12-7-4-9-5-8-13-11(9)10(12)3-1/h5,8,10H,1-4,6-7H2
PubChem CID14004039
ChEMBLCHEMBL346016
IUPHARN/A
BindingDB50018741
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1096.0 nMPMID2831365BindingDB
Ki1096.48 nMPMID2831365ChEMBL
Ki1100.0 nMPMID2831365BindingDB,ChEMBL

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