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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL555190
Molecular formula	C45H58N6O4
IUPAC name	(1S,15R,18S,19R,20S)-18-hydroxy-N-[5-[[(1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carbonyl]amino]pentyl]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxamide
Molecular weight	746.997
Hydrogen bond acceptor	6
Hydrogen bond donor	6
XlogP	5.5
Synonyms	BDBM50087154 N,N'-Pentamethylenebis(17alpha-hydroxyyohimban-16alpha-carboxamide) 1N-{5-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquino[3,2-a]b-carbolin-1-ylcarboxamido]pentyl}-2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquino[3, ;dihydrochloride CHEMBL1195716
Inchi Key	BHZYDNYEQNZRJY-FPGXKDDPSA-N
Inchi ID	InChI=1S/C45H58N6O4/c52-38-14-12-26-24-50-20-16-30-28-8-2-4-10-34(28)48-42(30)36(50)22-32(26)40(38)44(54)46-18-6-1-7-19-47-45(55)41-33-23-37-43-31(29-9-3-5-11-35(29)49-43)17-21-51(37)25-27(33)13-15-39(41)53/h2-5,8-11,26-27,32-33,36-41,48-49,52-53H,1,6-7,12-25H2,(H,46,54)(H,47,55)/t26-,27-,32-,33-,36-,37-,38-,39-,40+,41+/m0/s1
PubChem CID	10350094
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50087154
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. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	134.0 nM	PMID10762040	BindingDB

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