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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	Harmalan
Molecular formula	C12H12N2
IUPAC name	1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
Molecular weight	184.242
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.1
Synonyms	4,9-Dihydro-1-methyl-3H-pyrido[3,4-b]indole, 9CI BAS 00654954 harman e Oprea1_558389 ZINC13130932 1-methyl-3H,4H,9H-pyrido[3,4-b]indole 2H-Pyrido[3,4-b]indole, 3,4-dihydro-1-methyl- A827586 MCULE-2765797747 SCHEMBL4986696 3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-methyl- ACMC-1AST1 Dihydroharman NCGC00245167-01 TC-166607 1-Methyl-3,4-dihydro-beta-carboline BDBM50136493 HMS2270L19 REGID_for_CID_5316718 1-Methyl-4,9-dihydro-3H-beta-carboline 3,4-Dihydro-1-methyl-2H-Pyrido[3,4-b]indole AC1NSUKB CHEMBL295234 MLS001048999 SMR000387013 1-Methyl-3,4-dihydro-2H-.beta.-carboline 4,9-Dihydro-1-methyl-3H-Pyrido(3,4-b)indole AKOS006282713 NCGC00245167-02 TRA0052609 1-methyl-3,4-dihydrobeta-carboline 525-41-7 BJRYQXFFBCGJRM-UHFFFAOYSA-N HMS3561H09 SCHEMBL141724 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole 3H-Pyrido(3,4-b)indole, 4,9-dihydro-1-methyl- AC1Q2PFX CTK8C5609 MolPort-001-825-653 ST50984240 1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole [ Show all ]
Inchi Key	CWOYLIJQLSNRRN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
PubChem CID	160510
ChEMBL	CHEMBL295234
IUPHAR	N/A
BindingDB	50136493
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	1150.0 nM	PMID14643338	BindingDB,ChEMBL

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