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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

NameCHEMBL384677
Molecular formulaC21H34N4O3S
IUPAC nameN-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide
Molecular weight422.588
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.9
SynonymsN-(3-{4-[1-(propane-2-sulfonyl)-piperidin-4-ylmethyl]-piperizine-1-yl}-phenyl)-acetamide
SCHEMBL1385592
BDBM50187386
Inchi KeyIKQRMTVLIXROJJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H34N4O3S/c1-17(2)29(27,28)25-9-7-19(8-10-25)16-23-11-13-24(14-12-23)21-6-4-5-20(15-21)22-18(3)26/h4-6,15,17,19H,7-14,16H2,1-3H3,(H,22,26)
PubChem CID11524646
ChEMBLCHEMBL384677
IUPHARN/A
BindingDB50187386
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity>10.0 %PMID16722631ChEMBL

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