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GPCR

NameAlpha-2A adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdra2a
Synonymalpha2A-adrenergic receptor
Alpha-2A adrenoceptor
Adrenergic alpha 2A receptor
Alpha-2A adrenoreceptor
CA2-47
[ 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

NameCHEMBL361203
Molecular formulaC10H13FN2O2S
IUPAC name(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Molecular weight244.284
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP0.3
Synonyms(R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid amide
3beta-(Fluoromethyl)-7-sulfamoyl-1,2,3,4-tetrahydroisoquinoline
BDBM50163109
ZINC13517589
Inchi KeyJRESBJUYAQJNMA-SECBINFHSA-N
Inchi IDInChI=1S/C10H13FN2O2S/c11-5-9-3-7-1-2-10(16(12,14)15)4-8(7)6-13-9/h1-2,4,9,13H,3,5-6H2,(H2,12,14,15)/t9-/m1/s1
PubChem CID11460195
ChEMBLCHEMBL361203
IUPHARN/A
BindingDB50163109
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki700000.0 nMPMID15771426BindingDB,ChEMBL

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