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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

NameCHEMBL286246
Molecular formulaC11H10N2S
IUPAC name5-(6,7-dihydro-1-benzothiophen-4-yl)-1H-imidazole
Molecular weight202.275
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.1
Synonyms6,7-Dihydro-4-(1H-imidazole-4-yl)benzo[b]thiophene
4-(6,7-Dihydro-benzo[b]thiophen-4-yl)-1H-imidazole
ZINC4805849
BDBM50085680
1H-Imidazole, 5-(6,7-dihydrobenzo[b]thien-4-yl)-
[ Show all ]
Inchi KeyBAADWHDQAKDYLX-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H10N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h2,4-7H,1,3H2,(H,12,13)
PubChem CID9815610
ChEMBLCHEMBL286246
IUPHARN/A
BindingDB50085680
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki621.0 nMPMID10715142BindingDB,ChEMBL

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