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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

NameCHEMBL317333
Molecular formulaC26H24FN5
IUPAC name3-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]propanenitrile
Molecular weight425.511
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.0
SynonymsSCHEMBL6598143
BDBM50122806
3-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-indol-3-yl]-piperidin-1-yl}-propionitrile
Inchi KeyALBWWALSEOWKRA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24FN5/c27-21-4-6-22(7-5-21)32-18-24(19-9-15-31(16-10-19)14-1-11-28)23-17-20(3-8-25(23)32)26-29-12-2-13-30-26/h2-8,12-13,17-19H,1,9-10,14-16H2
PubChem CID10310103
ChEMBLCHEMBL317333
IUPHARN/A
BindingDB50122806
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.9 nMPMID12519065BindingDB,ChEMBL

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