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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

NameFASDKYOPVNHBLU-UHFFFAOYSA-N
Molecular formulaC10H17N3S
IUPAC name6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Molecular weight211.327
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.9
SynonymsL000492
N~6~-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine dihydrochloride
(S)-2-Amnio-4,5,6,7-tetrahydro-6-(propylamino)benzothiazole
A801038
Benzene,4-chloro-1-(trifluoromethoxy)-2-(trifluoromethyl)-
[ Show all ]
Inchi KeyFASDKYOPVNHBLU-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)
PubChem CID4885
ChEMBLCHEMBL76399
IUPHARN/A
BindingDB50017550
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki67.7 nMhttp://pdsp.med.unc.edu/pdsp.phpPDSP
Ki630.957 nMPMID12388666PDSP
Ki630.96 nMPMID12388666BindingDB

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