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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

NameCilansetron
Molecular formulaC20H21N3O
IUPAC name(12R)-12-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one
Molecular weight319.408
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP2.6
Synonyms(-)-(R)-5,6,9,10-Tetrahydro-10-((2-methylimidazol-1-yl)methyl)-4H-pyrido(3,2,1-jk)carbazol-11(8H)-one
120635-74-7
2J6DQ1U5B5
4H-Pyrido(3,2,1-jk)carbazol-11(8H)-one, 5,6,9,10-tetrahydro-10-((2-methyl-1H-imidazol-1-yl)methyl)-, (R)-
Calmactin
[ Show all ]
Inchi KeyNCNFDKWULDWJDS-OAHLLOKOSA-N
Inchi IDInChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1
PubChem CID6918107
ChEMBLCHEMBL2103778
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID8246239ChEMBL

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