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GPCR

NameAlpha-2A adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdra2a
SynonymCA2-47
alpha2D
alpha2A-AR
alpha2A-adrenoceptor
alpha2A-adrenergic receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length450
Amino acid sequenceMGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGGQQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACSAPPGGADRRPNGLGPERGAGTAGAEAEPLPTQLNGAPGEPAPTRPRDGDALDLEESSSSEHAERPQGPGKPERGPRAKGKTKASQVKPGDSLPRRGPGAAGPGASGSGQGEERAGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPYQLFNFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProtP22909
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL327
IUPHARN/A
DrugBankN/A

Ligand

NameSK&F-104078
Molecular formulaC16H22ClNO
IUPAC name6-chloro-3-methyl-9-(3-methylbut-2-enoxy)-1,2,4,5-tetrahydro-3-benzazepine
Molecular weight279.808
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.4
SynonymsUNII-22XBK6DY1E
22XBK6DY1E
CHEBI:125603
PDSP2_000607
6-chloro-3-methyl-9-(3-methylbut-2-enoxy)-1,2,4,5-tetrahydro-3-benzazepine
[ Show all ]
Inchi KeyMBYSTKNEMJZSIK-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
PubChem CID122295
ChEMBLCHEMBL114166
IUPHARN/A
BindingDB50030623
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki244.0 nMPMID11408545BindingDB
Ki248.0 nMPMID7965790BindingDB
Ki313.0 nMPMID7658428BindingDB,ChEMBL

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