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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.
Go to the GPCR page and check other ligands which interact with it.
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	Eticlopride
Molecular formula	C17H25ClN2O3
IUPAC name	5-chloro-3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
Molecular weight	340.848
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.1
Synonyms	3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide (etichlopride) A 38503 C17H25ClN2O3 Eticloprida [Spanish] FLB 131 PDSP1_000923 5-chloro-3-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-methoxysalicylamide BDBM50007518 ETICLOPRIDE,S(-) J8M468HBH4 PDSP2_001501 3-Chloro-5-ethyl-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide BRD-K50417881-003-05-9 DTXSID9048435 Eticlopridum [Latin] NCGC00161393-01 UNII-J8M468HBH4 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide(Eticlopride) AB00514697 CAS-97612-24-3 FLB-131 PDSP1_001517 (-)-(S)-5-Chloro-3-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-methoxysalicylamide 5-chloro-3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide BPBio1_000952 CHEMBL8946 Eticlopride;3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide LS-26063 Prestwick3_000932 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide 97612-24-3 BSPBio_000864 Eticloprida ETQ NCGC00161393-02 ZINC1395 3-Chloro-5-Ethyl-N-{[(2s)-1-Ethylpyrrolidin-2-Yl]methyl}-6-Hydroxy-2-Methoxybenzamide AC1L1MN4 CHEBI:92874 Eticlopride [INN] GTPL966 PDSP2_000909 (S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)methyl)-6-hydroxy-2-methoxybenzamide BRD-K50417881-003-02-6 D03KUH Eticlopridum NCGC00016963-01 SCHEMBL572121 [ Show all ]
Inchi Key	AADCDMQTJNYOSS-LBPRGKRZSA-N
Inchi ID	InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
PubChem CID	57267
ChEMBL	CHEMBL8946
IUPHAR	966
BindingDB	50007518
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	705.0 nM	PMID9686407	BindingDB
Ki	830.0 nM	PMID2869639	BindingDB

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