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GPCR

NameAlpha-2A adrenergic receptor
SpeciesBos taurus (Bovine)
GeneADRA2A
SynonymAlpha-2A adrenoceptor
Alpha-2A adrenoreceptor
Alpha-2AAR
Alpha-2D adrenergic receptor
DiseaseN/A for non-human GPCRs
Length452
Amino acid sequenceMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISFEKKRGRSGQPSAEPRCEINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDATAAELPGSAERRPNGLGPERGGVGPVGAEVESLQVQLNGAPGEPAPAGAGADALDLEESSSSEHAERPPGSRRSERGPRAKGKARASQVKPGDSLPRRGPGATGLGAPTAGPAEERSGGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAIGCPVPPTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProtQ28838
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4744
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL368413
Molecular formulaC19H22N2
IUPAC name11-(1-methylpiperidin-4-ylidene)-5,6-dihydropyrrolo[2,1-b][3]benzazepine
Molecular weight278.399
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP2.5
SynonymsZINC26396977
BDBM50026969
SCHEMBL11203868
11-(1-Methyl-piperidin-4-ylidene)-6,11-dihydro-5H-benzo[d]pyrrolo[1,2-a]azepine
Inchi KeyGLILMEKKDFAGIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N2/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21/h2-7,11H,8-10,12-14H2,1H3
PubChem CID12909383
ChEMBLCHEMBL368413
IUPHARN/A
BindingDB50026969
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki730.0 nMPMID6134835BindingDB,ChEMBL

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