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GPCR

NameAlpha-2B adrenergic receptor
SpeciesDidelphis virginiana (North American opossum)
GeneADRA2B
SynonymAlpha-2B adrenoceptor
Alpha-2B adrenoreceptor
Alpha-2BAR
DiseaseN/A for non-human GPCRs
Length382
Amino acid sequenceAIAAVITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRHTWCEVYLALDVLFCTSSIVHLCAISLDRYWSVSRALEYNSKRTPRRIKGIILTVWLIAAFISLPPLIYKGDKGKKPGGRPQCKLNEEAWYILSSSIGSFFAPCLIMILVYLRIYLIAKRRNRQGPHGKQAPGDGDTGPSALGGTSTISKLPPSILPAVGEANGHSKPPGEREGGEQMGDPTSPSTPPNQSSVGPEDGSQKQEEEEEEEEEEEEECGPPAPPTSSSLQGTPNFQPSQGSQVLATLRGQVLLARGPASLGLQPWRRRTQMNREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPQHCKVPHGLF
UniProtO77715
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

NameAC1NKXXY
Molecular formulaC17H19N3O
IUPAC name3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate
Molecular weight281.359
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.3
Synonyms3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate
MolPort-000-771-097
STL054299
AKOS005707227
3-[(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)(4-methylphenyl)amino]phenolate
[ Show all ]
Inchi KeyMRBDMNSDAVCSSF-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
PubChem CID4920903
ChEMBLCHEMBL597
IUPHAR502
BindingDB31046
DrugBankDB00692

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki5.6 nMPMID2894455BindingDB

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