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GPCR

NameAlpha-2B adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA2B
Synonymalpha2-C2
alpha2B
alpha2B-adrenoceptor
Alpha-2BAR
alpha-2B adrenoreceptor
[ Show all ]
DiseaseNeuropathic pain
Alcohol use disorders
Length450
Amino acid sequenceMDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
UniProtP18089
Protein Data BankN/A
GPCR-HGmod modelP18089
3D structure modelThis predicted structure model is from GPCR-EXP P18089.
BioLiPN/A
Therapeutic Target DatabaseT41580
ChEMBLCHEMBL1942
IUPHAR26
DrugBankBE0000572

Ligand

NameCHEMBL1255723
Molecular formulaC15H16N2
IUPAC name5-[(1S,1aR,6aS)-1-ethyl-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl]-1H-imidazole
Molecular weight224.307
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50417010
Inchi KeyARHWJJBPLJIHQP-AEGPPILISA-N
Inchi IDInChI=1S/C15H16N2/c1-2-12-14-11-6-4-3-5-10(11)7-15(12,14)13-8-16-9-17-13/h3-6,8-9,12,14H,2,7H2,1H3,(H,16,17)/t12-,14-,15+/m0/s1
PubChem CID52944548
ChEMBLCHEMBL1255723
IUPHARN/A
BindingDB50417010
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.18197 nMPMID20809632BindingDB
Ki0.182 nMPMID20809632ChEMBL

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