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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

NameCHEMBL366388
Molecular formulaC24H29FN2O
IUPAC name1-(4-fluorophenyl)-4-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]butan-1-one
Molecular weight380.507
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50056946
1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-butan-1-one
Inchi KeyJGHINESLHSSDOZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29FN2O/c25-21-12-10-20(11-13-21)24(28)9-4-14-26-15-17-27(18-16-26)23-8-3-6-19-5-1-2-7-22(19)23/h1-2,5,7,10-13,23H,3-4,6,8-9,14-18H2
PubChem CID9864676
ChEMBLCHEMBL366388
IUPHARN/A
BindingDB50056946
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki18.0 nMPMID9083484BindingDB,ChEMBL

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