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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

Namepiribedil
Molecular formulaC16H18N4O2
IUPAC name2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine
Molecular weight298.346
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.8
SynonymsD07GXY
EINECS 222-764-6
HMS2089M17
Lopac-P-9233
2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-pyrimidine
[ Show all ]
Inchi KeyOQDPVLVUJFGPGQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
PubChem CID4850
ChEMBLCHEMBL1371770
IUPHAR49
BindingDB85092
DrugBankDB12478

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki288.4 nMPMID12388666, PMID11356907BindingDB
Ki288.403 nMPMID12388666PDSP
Ki288.403 nMPMID11356907PDSP

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