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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.
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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	BRN 0418992
Molecular formula	C19H24N2O
IUPAC name	9-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydro-1H-carbazol-4-one
Molecular weight	296.414
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.1
Synonyms	9-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydro-1H-carbazol-4-one 2,3-Dihydro-9-methyl-3-(piperidino)methyl-4(1H)-carbazolone CTK1C4430 4(1H)-CARBAZOLONE, 2,3-DIHYDRO-9-METHYL-3-(PIPERIDINO)METHYL- AC1L1Z9K 2,3-Dihydro-9-methyl-3-(piperidinomethyl)-9H-carbazol-4(1H)-one LS-51873 9-Methyl-3-(1-piperidinomethyl)-2,3-dihydro-4(1H)-carbazolone AKOS030561880 CHEMBL161823 38942-84-6 [ Show all ]
Inchi Key	BAFLVTLGUUJFPM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N2O/c1-20-16-8-4-3-7-15(16)18-17(20)10-9-14(19(18)22)13-21-11-5-2-6-12-21/h3-4,7-8,14H,2,5-6,9-13H2,1H3
PubChem CID	38187
ChEMBL	CHEMBL161823
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
pKB	5.98 -	Bioorg. Med. Chem. Lett., (1995) 5:7:667	ChEMBL

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