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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Rattus norvegicus (Rat)
Gene	Htr2a
Synonym	serotonin 5HT-2 receptor 5Ht-2 'D' receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5-HT2A receptor 5-HT-2A 5-HT-2 serotonin receptor 2A [ Show all ]
Disease	N/A for non-human GPCRs
Length	471
Amino acid sequence	MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
UniProt	P14842
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	CHEMBL322
IUPHAR	6
DrugBank	N/A

Ligand

Name	Remoxipride
Molecular formula	C16H23BrN2O3
IUPAC name	3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
Molecular weight	371.275
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.1
Synonyms	NCGC00024870-01 Prestwick3_000971 (R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide Remoxipridum [INN-Latin] 3-Bromo-N-((R)-1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide UNII-0223RD59PE 3-bromo-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-2,6-dimethoxybenzamide AC1L1H2R Benzamide, 3-bromo-2,6-dimethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)-, (S)- BRN 4323708 CHEMBL22242 DTXSID6045668 NCGC00024870-04 (S)-3-Bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,6-dimethoxybenzamide SCHEMBL121339 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide (Remoxipride) 80125-14-0 AKOS016014111 BPBio1_001103 CAS-73220-03-8 GUJRSXAPGDDABA-NSHDSACASA-N Prestwick1_000971 (-)-(S)-3-Bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,6-dimethoxybenzamide Remoxipride [USAN:INN:BAN] 0223RD59PE Tox21_110934 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-benzamide AB00514647 AX8150285 BRD-K54094468-003-03-8 CHEBI:92948 DSSTox_GSID_45668 LS-25856 NCGC00024870-02 Remoxiprida (S)-(-)-3-Bromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxybenzamide Romoxipride 3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide ZINC2021799 AC1Q2696 Benzamide, 3-bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,6-dimethoxy-, (S)- BSPBio_001001 D01PIL FLA 731 NCGC00024870-06 (-)-(S)-3-Brom-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,6-dimethoxybenzamid Remoxipride (USAN) (S)-3-Bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2,6-dimethoxybenzamide SPBio_002912 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide(remoxipride) A 33547 AN-16705 BPBio1_001171 CAS-80125-14-0 DB00409 HMS2089L19 NCGC00016921-01 Prestwick2_000971 (-)-n-ethyl-2-(3-bromo-2,6-dimethoxybenzamidomethyl)pyrrolidine Remoxipridum 117591-79-4 (mono-hydrochloride monohydrate) Tox21_110934_1 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide AB00514647-06 BDBM50026045 BRD-K54094468-003-05-3 DSSTox_RID_81043 NCGC00024870-03 Remoxiprida [INN-Spanish] (S)-3-Bromo-2,6-dimethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)benzamide Roxiam 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide 73220-03-8 (mono-hydrochloride) AJ-32770 Biomol-NT_000015 C-21146 D02682 FLA-731 Prestwick0_000971 (-)-(s)-3-bromo-N-(( 1-ethyl-2-pyrrolidinyl)-methyl)-2,6-dimethoxybenzamide Remoxipride [USAN:BAN:INN] (S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide Tocris-0916 3-bromo-n-[[(2s)-1-ethyl-2-pyrrolidinyl]methyl]-2,6-dimethoxybenzamide A-33547 API0009206 BRD-K54094468-001-01-6 CC-34233 DSSTox_CID_25668 KB-211470 [ Show all ]
Inchi Key	GUJRSXAPGDDABA-NSHDSACASA-N
Inchi ID	InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
PubChem CID	54477
ChEMBL	CHEMBL22242
IUPHAR	N/A
BindingDB	50026045
DrugBank	DB00409
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	PMID9430133, PMID2869639	BindingDB
Ki	5200.0 nM	PMID9577836	BindingDB

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