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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

NameCHEMBL209459
Molecular formulaC25H34N4O3S
IUPAC nameN-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]cyclopropanecarboxamide
Molecular weight470.632
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.2
SynonymsSCHEMBL13532843
BDBM50187378
cyclopropanecarboxylic acid (3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-amide
Inchi KeyJONFWGAWADRHQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H34N4O3S/c1-20-7-11-24(12-8-20)33(31,32)26-13-2-3-14-28-15-17-29(18-16-28)23-6-4-5-22(19-23)27-25(30)21-9-10-21/h4-8,11-12,19,21,26H,2-3,9-10,13-18H2,1H3,(H,27,30)
PubChem CID10254142
ChEMBLCHEMBL209459
IUPHARN/A
BindingDB50187378
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity10.0 %PMID16722631ChEMBL

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