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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

NameCHEMBL123769
Molecular formulaC36H37N3O6
IUPAC name3-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 5-O-methyl 2,6-dimethyl-4-(4-nitrophenyl)pyridine-3,5-dicarboxylate
Molecular weight607.707
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP7.1
SynonymsBDBM50030624
2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicarboxylic acid 3-[3-(4,4-diphenyl-piperidin-1-yl)-propyl] ester 5-methyl ester
Inchi KeyBXERZGFRIILESM-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H37N3O6/c1-25-31(34(40)44-3)33(27-15-17-30(18-16-27)39(42)43)32(26(2)37-25)35(41)45-24-10-21-38-22-19-36(20-23-38,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18H,10,19-24H2,1-3H3
PubChem CID44348163
ChEMBLN/A
IUPHARN/A
BindingDB50030624
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki758.0 nMPMID7562902BindingDB

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