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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	ondansetron
Molecular formula	C18H19N3O
IUPAC name	9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
Molecular weight	293.37
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	2.3
Synonyms	39O049 KS-00000JSZ 9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-4-one NC00706 AB00373674-15 ACT02589 Ondansetron, (+,-)-Isomer BCP28911 Prestwick3_001058 BSPBio_001016 SC-07554 CHEMBL46 ST2412612 DESMETHYLONDANSETRON GR 38032X 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-carbazol-4-one HMS3259H08 VA11441 Zudan HY-B0002B 9-Methyl-3- (2-methyl-imidazol-1ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one LS-172305 99614-01-4 NCGC00179341-07 AB00373674_19 ondansetron (Zofran) AN-6592 PHL-ondansetron BPBio1_001118 S-2116 CAS-99614-02-5 SN-307 CTK8G2184 TL8006071 DSSTox_RID_77011 (RS)-1,2,3,9-Tetrahydro-9-methyl-3-(2-methylimidazol-1-ylmethyl)carbazol-4-one GR-38032F/GR-38032 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazole-1-yl)methyl]-4H-carbazol-4-one Zofran (TN) 108303-49-7 I544 9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one MLS006011928 AB0013753 NSC_68647 AC1L1IIM Ondansetron [USAN:INN:BAN] BBL010304 Prestwick1_001058 BRD-A19736161-003-03-0 Sandoz ondansetron CHEBI:7773 SR-01000763250-4 FT-0631004 1,2,3,9-Tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-4H-carbazol-4-one GTPL2290 Zofran ODT (TN) HMS3371E18 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)- KS-5227 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one NCGC00179341-02 AB00373674-17 Ondansetron (base and/or unspecified salts) AKOS000599484 Oprea1_435466 BCP9001025 QC-660 C07325 SCHEMBL4542 CPD001307702 STK370548 DSSTox_CID_3393 GR-38032 1,2,3,9-Tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1yl)methyl]-4H-carbazol-4-one Z1741971217 Zuplenz I06-0687 9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-1,2,3,9-tetrahydro-4H-carbazol-4-one LS-51878 99614-01-4 (mono-hydrochloride) NCI60_022780 AB2000413 ONDANSETRON HCl Apo-ondansetron PMS-ondansetron BR-29654 s1996 CAS_68647 SPBio_002938 D00456 Tox21_113048 DTXSID8023393 1,2,3,4-Tetrahydro-9-methyl-3-(2-methyl-1H-imidazol-1-ylmethyl)carbazol-4-one GR38032 103639-04-9 ZOFRAN IN PLASTIC CONTAINER 116002-70-1 KB-308401 9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one MolPort-001-944-253 AB00373674 Odansetron [common misspelling of ondansetron] ACN-049703 Ondansetron [USP:INN:BAN] BC220610 Prestwick2_001058 BRN 3622981 SBB066158 ST077669 DB00904 GR 38032 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H- carbazol-4-one HMS2090H16 Zophren HSDB 8304 L000456 9-methyl-3-[(2-methylimidazolyl)methyl]-1,2,3,9-tetrahydro-4aH-carbazol-4-one NCGC00179341-04 AB00373674_18 Ondansetron (JAN/USP/INN) AKOS016340526 Oprea1_852372 BDBM85330 Ratio-ondansetron C18H19N3O SMR001307702 CS-2393 TimTec1_001750 DSSTox_GSID_23393 GR-38032F 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazole-1 -yl)methyl]-4H-carbazol-4-one Zofran 103639-04-9 (mono-hydrochloride dihydrate) I06-1329 9-Methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-2,3-dihydro-1H-carbazol-4(9H)-one MCULE-9438746800 99614-02-5 Novo-ondansetron AC-28927 Ondansetron Injection BAS 00717177 Prestwick0_001058 BRD-A19736161-001-01-8 SAM002589958 CBDivE_008994 SR-01000763250 D0K7WK Tox21_113048_1 FELGMEQIXOGIFQ-UHFFFAOYSA-N 1,2,3,9,-Tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-carbazol-4-one GR38032F Zofran ODT [ Show all ]
Inchi Key	FELGMEQIXOGIFQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
PubChem CID	4595
ChEMBL	CHEMBL46
IUPHAR	N/A
BindingDB	85330
DrugBank	DB00904
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	PMID9686407	BindingDB
pKB	4.66 -	Bioorg. Med. Chem. Lett., (1995) 5:7:667	ChEMBL

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