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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

NameYohimbine
Molecular formulaC21H26N2O3
IUPAC namemethyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular weight354.45
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsCHEBI:10093
Yohimbe bark extract
D08685
Yohimbol-16alpha-carboxylic acid, methyl ester (6CI)
DTXSID9040130
[ Show all ]
Inchi KeyBLGXFZZNTVWLAY-SCYLSFHTSA-N
Inchi IDInChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
PubChem CID8969
ChEMBLCHEMBL15245
IUPHAR102
BindingDB50013515, 50203564
DrugBankDB01392

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
IC5017.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki0.32 nMPMID2172775BindingDB
Ki0.37 nMPMID1353247BindingDB
Ki1.18 nMPMID1353247BindingDB
Ki1.2 nMPMID2172775BindingDB
Ki1.2 nMPMID9605427BindingDB
Ki1.25893 - 12.5893 nMPMID7996470, PMID1353247, PMID7908642IUPHAR
Ki1.99 nMPMID10611634BindingDB
Ki2.0 nMPMID10762040BindingDB
Ki2.01 nMPMID10762040ChEMBL
Ki3.2 nMPMID24365159ChEMBL
Ki4.59 nMPMID7996470BindingDB
Ki4.6 nMPMID7562902BindingDB,ChEMBL
Ki7.1 nMPMID15911252ChEMBL
Ki7.947 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki13.6 nMPMID7996470BindingDB
Ki15.0 nMPMID17257841BindingDB
Ki28.84 nMPMID24365159ChEMBL
Ki77.0 nMPMID2172775BindingDB

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