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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

NameCHEMBL61819
Molecular formulaC23H29N3O2S
IUPAC name6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-benzothiazol-2-one
Molecular weight411.564
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50064589
3-Methyl-6-[4-[4-(2-methoxyphenyl)piperazino]butyl]benzothiazol-2(3H)-one
6-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-methyl-3H-benzothiazol-2-one
Inchi KeyIUIOIGDUPSHYOT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29N3O2S/c1-24-20-11-10-18(17-22(20)29-23(24)27)7-5-6-12-25-13-15-26(16-14-25)19-8-3-4-9-21(19)28-2/h3-4,8-11,17H,5-7,12-16H2,1-2H3
PubChem CID10501785
ChEMBLCHEMBL61819
IUPHARN/A
BindingDB50064589
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5030.0 nMPMID9622542BindingDB,ChEMBL

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