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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

NameCHEMBL294730
Molecular formulaC22H27N3O2S
IUPAC name6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-1,3-benzothiazol-2-one
Molecular weight397.537
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
SynonymsSCHEMBL7761659
BDBM50064583
3-Methyl-6-[3-[4-(2-methoxyphenyl)piperazino]propyl]benzothiazole-2(3H)-one
6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-3-methyl-3H-benzothiazol-2-one
Inchi KeyHQRJJQDPSVJHQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N3O2S/c1-23-19-10-9-17(16-21(19)28-22(23)26)6-5-11-24-12-14-25(15-13-24)18-7-3-4-8-20(18)27-2/h3-4,7-10,16H,5-6,11-15H2,1-2H3
PubChem CID10644514
ChEMBLCHEMBL294730
IUPHARN/A
BindingDB50064583
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC506.0 nMPMID9622542BindingDB,ChEMBL

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