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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	Prucalopride
Molecular formula	C18H26ClN3O3
IUPAC name	4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
Molecular weight	367.874
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.0
Synonyms	DSSTox_RID_97345 KS-000006NE Prucalopride (USAN/INN) R093877 Tox21_113885 4-amino-5-chloro-N-[1-(3-methoxypropyl)-4-piperidyl]-2,3-dihydrobenzofuran-7-carboxamide AB1008449 BCP02177 CS-2574 FT-0674128 Motegrity PubChem22481 SC-23104 ZINC1891034 AK170477 C18H26ClN3O3 D0F3ZT HY-14151 PB31402 R-093877 SR-01000945275-1 4-Amino-5-chloro-2,3-dihydro-N-[1-(3-methoxypropyl)-4-piperidinyl]-7-benzofurancarboxamide A25458 AN-3491 DSSTox_CID_31459 DTXSID5057670 L000891 Prucalopride [USAN:INN:BAN] RL02293 UNII-0A09IUW5TP 0A09IUW5TP 4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide AC-23945 BCPP000099 D04QSJ GTPL243 NCGC00253867-01 Q-3828 SCHEMBL16952 4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxylic acid [1-(3-methoxy-propyl)-piperidin-4-yl]-amide 7-Benzofurancarboxamide, 4-amino-5-chloro-2,3-dihydro-N-[1-(3-methoxypropyl)-4-piperidinyl]- AKOS015951096 CAS-179474-81-8 DSSTox_GSID_57670 KB-80141 R0-93877 SW219198-2 4-Amino-5-chloro-N-(1-(3-methoxypropyl)piperidin-4-yl)-2,3-dihydrobenzofuran-7-carboxamide AB0035840 AS-19549 CHEMBL117287 EX-A1333 MolPort-009-679-441 prucalopride(r-93877) s2875 Y0251 179474-81-8 474P818 AC1MHJYO BDBM50122872 D09205 HMS3651F04 NCGC00253867-02 R 093877 SR-01000945275 4-Amino-5-chloro-2,3-dihydro-N-(1-(3-methoxypropyl)-4-piperidyl)-7-benzofurancarboxamide 7-Benzofurancarboxamide,4-amino-5-chloro-2,3-dihydro-N-[1-(3-methoxypropyl)-4-piperidinyl]- AM84628 CHEBI:135552 DB06480 [ Show all ]
Inchi Key	ZPMNHBXQOOVQJL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
PubChem CID	3052762
ChEMBL	CHEMBL117287
IUPHAR	243
BindingDB	50122872
DrugBank	DB06480
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID11438309	PDSP,BindingDB

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