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GPCR

Name	Alpha-2B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2B
Synonym	alpha2-C2 alpha2B alpha2B-adrenoceptor Alpha-2BAR alpha-2B adrenoreceptor Alpha-2B adrenoceptor alpha-2B adrenergic receptor Alpha-2 adrenergic receptor subtype C2 adrenergic receptor Adrenergic alpha2B- receptor class III ADRA2RL1 ADRA2L1 Adra-2b [ Show all ]
Disease	Neuropathic pain Alcohol use disorders
Length	450
Amino acid sequence	MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
UniProt	P18089
Protein Data Bank	N/A
GPCR-HGmod model	P18089
3D structure model	This predicted structure model is from GPCR-EXP P18089.
BioLiP	N/A
Therapeutic Target Database	T41580
ChEMBL	CHEMBL1942
IUPHAR	26
DrugBank	BE0000572

Ligand

Name	CHEMBL543232
Molecular formula	C47H64Cl2N6O4
IUPAC name	(1S,15R,18S,19R,20S)-18-hydroxy-N-[7-[[(1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carbonyl]amino]heptyl]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxamide;dihydrochloride
Molecular weight	847.967
Hydrogen bond acceptor	6
Hydrogen bond donor	8
XlogP	None
Synonyms	N/A
Inchi Key	CJEMQNOWFJVFMI-NWJKDXGISA-N
Inchi ID	InChI=1S/C47H62N6O4.2ClH/c54-40-16-14-28-26-52-22-18-32-30-10-4-6-12-36(30)50-44(32)38(52)24-34(28)42(40)46(56)48-20-8-2-1-3-9-21-49-47(57)43-35-25-39-45-33(31-11-5-7-13-37(31)51-45)19-23-53(39)27-29(35)15-17-41(43)55;;/h4-7,10-13,28-29,34-35,38-43,50-51,54-55H,1-3,8-9,14-27H2,(H,48,56)(H,49,57);2*1H/t28-,29-,34-,35-,38-,39-,40-,41-,42+,43+;;/m0../s1
PubChem CID	45262636
ChEMBL	CHEMBL543232
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Ki	27.6 nM	PMID10762040	ChEMBL

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