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GPCR

NameAlpha-1A adrenergic receptor
SpeciesBos taurus (Bovine)
GeneADRA1A
SynonymAlpha-1A adrenoreceptor
Alpha-1C adrenergic receptor
Alpha-1A adrenoceptor
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

NameCHEMBL346492
Molecular formulaC15H17NS
IUPAC name2,3,4,6,7,12b-hexahydro-1H-[1]benzothiolo[2,3-a]quinolizine
Molecular weight243.368
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.7
SynonymsSCHEMBL3868066
BDBM50018739
1,3,4,5,6,11b-Hexahydro-2H-11-thia-4a-aza-benzo[a]fluorene
Inchi KeyIIJWWDRFLXTECC-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H17NS/c1-2-7-14-11(5-1)12-8-10-16-9-4-3-6-13(16)15(12)17-14/h1-2,5,7,13H,3-4,6,8-10H2
PubChem CID13507646
ChEMBLCHEMBL346492
IUPHARN/A
BindingDB50018739
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki16.0 nMPMID2831365BindingDB
Ki16.1 nMPMID2831365BindingDB,ChEMBL
Ki16.22 nMPMID2831365ChEMBL

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