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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Adenosine receptor A2a
Species	Rattus norvegicus (Rat)
Gene	Adora2a
Synonym	A2-AR A2A receptor adenosine receptor A2a RDC8
Disease	N/A for non-human GPCRs
Length	410
Amino acid sequence	MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
UniProt	P30543
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL302
IUPHAR	19
DrugBank	N/A

Ligand

Name	amisulpride
Molecular formula	C17H27N3O4S
IUPAC name	4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
Molecular weight	369.48
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	1.5
Synonyms	DAN-2163 4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-anisamid DTXSID5042613 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxybenzenecarboximidic acid HMS3268L09 A837282 KS-00000XK6 AC1L1D1X MLS000759450 Amisulpride for system suitability, European Pharmacopoeia (EP) Reference Standard NCGC00092310-03 Amisulpridum Pharmakon1600-01502285 BCP9000294 SL-91.1077 CA0133 SR-01000759303-5 Sulpitac CS-1791 Deniban 4-amino-N-((1-ethylpyrrolidin-2-yl)methyl)-5-(ethylsulfonyl)-2-methoxybenzamide FT-0630805 4-azanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxy-benzamide HMS3657E11 AB00639933-09 LS-25532 Amisulpiride MolPort-003-983-463 Amisulpride, >=98% (HPLC) NCGC00261818-01 ANW-42197 S1280 Benzamide, 4-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxy- Solian CC-24086 CCG-222437 Tox21_113392_1 D07310 DSSTox_GSID_42613 4-amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-ethylsulfonyl-2-methoxybenzamide HMS2235M16 I06-0334 ABP000597 MFCD00866691 NCGC00092310-01 Amisulpride/ NSC_2159 AS-13890 SC-23161 C-21104 Solian, Amisulpride STK635172 CHEMBL243712 4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxybenzamide EINECS 275-831-7 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxy-benzamide HMS3369K09 AB0008029 L000106 AKOS005567252 MLS001424039 Amisulpride [INN:BAN] NCGC00092310-04 Amisulpridum [INN-Latin] PubChem18224 BCPP000404 SMR000449309 CAS-71675-85-9 SW197490-3 CTK8B3282 Deniban (TN) 4-Amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-benzamide GTPL963 675A859 HMS3713N06 AB00639933_10 LS41262 Amisulprida MolPort-029-999-733 Amisulpride, British Pharmacopoeia (BP) Reference Standard NSC-760085 APD421 SAM001246639 BG0361 Solian (TN) CCG-100860 CHEBI:64045 Tox21_501133 DAN 2163 4-amino-5-(ethanesulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide DSSTox_RID_80058 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide HMS3263D07 K214 AC-6820 MLS000758258 Amisulpride (INN) NCGC00092310-02 Amisulpride; NTJOBXMMWNYJFB-UHFFFAOYSA-N BCP02089 SCHEMBL34126 C17H27N3O4S SR-01000759303 STL454297 CPD000449309 DB06288 4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-o-anisamide FC0018 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide HMS3393K10 AB00639933-07 LP01133 Aminosultopride MLS006011769 Amisulpride [INN] NCGC00092310-06 AN-6961 RL04735 BDBM81790 Socian CAS_71675-85-9 W-104511 CCG-220622 Tox21_113392 D03ELL (plusmn)-amisulpride DSSTox_CID_22613 4-Amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide HMS2051K10 71675-85-9 HY-14545 AB1009624 MCULE-4239265090 Amisulprida [INN-Spanish] NC00110 Amisulpride, European Pharmacopoeia (EP) Reference Standard NSC760085 API0005392 SAM001246966 BRD-A60197193-001-05-4 Solian, 71675-85-9 [ Show all ]
Inchi Key	NTJOBXMMWNYJFB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
PubChem CID	2159
ChEMBL	CHEMBL243712
IUPHAR	963
BindingDB	81790
DrugBank	DB06288
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	PMID8996185	BindingDB

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