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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

NameSK&F-106686
Molecular formulaC14H16ClNS
IUPAC name7-chloro-2-ethyl-11-methyl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
Molecular weight265.799
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.3
SynonymsD07QCC
5-Chloro-1-ethyl-8-methyl-6,7,8,9-tetrahydro-2-thia-8-aza-benzo[cd]azulene
SK-106686
SCHEMBL8605175
CHEMBL123448
[ Show all ]
Inchi KeyBAAUEDJUTZLMAN-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h4-5H,3,6-8H2,1-2H3
PubChem CID10946567
ChEMBLCHEMBL123448
IUPHARN/A
BindingDB50030615
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki15.0 nMPMID7562902BindingDB,ChEMBL

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