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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

NameCHEMBL424967
Molecular formulaC20H19F3N2S
IUPAC name11-(1-methylpiperidin-4-ylidene)-9-(trifluoromethylsulfanyl)pyrrolo[2,1-b][3]benzazepine
Molecular weight376.441
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50026967
11-(1-Methyl-piperidin-4-ylidene)-9-trifluoromethylsulfanyl-11H-benzo[d]pyrrolo[1,2-a]azepine
Inchi KeyMBPWGZJSRMMHMQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19F3N2S/c1-24-10-6-15(7-11-24)19-17-13-16(26-20(21,22)23)5-4-14(17)8-12-25-9-2-3-18(19)25/h2-5,8-9,12-13H,6-7,10-11H2,1H3
PubChem CID13141184
ChEMBLCHEMBL424967
IUPHARN/A
BindingDB50026967
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki13.0 nMPMID6134835BindingDB,ChEMBL

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