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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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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Bos taurus (Bovine)
Gene	HTR2A
Synonym	5-HT-2 5-HT-2A Serotonin receptor 2A
Disease	N/A for non-human GPCRs
Length	470
Amino acid sequence	MDILCEENTSLSSTTNSLMQLHADTRLYSTDFNSGEGNTSNAFNWTVDSENRTNLSCEGCLSPPCFSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSTLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADENFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDPGTRTKLASFSFLPQSSLSSEKLFQRSIHREPGSYGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNRDVIEALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGPKKNSKKDDKTTDNDCTMVALGKEHPEDAPADSSNTVNEKVSCV
UniProt	Q75Z89
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	CHEMBL3446
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL49623
Molecular formula	C21H27NO2
IUPAC name	4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
Molecular weight	325.452
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.9
Synonyms	Ifenprodil,(+/-) 4-[(R)-2-(4-Benzyl-piperidin-1-yl)-1-(S)-hydroxy-propyl]-phenol AC1O7G95 Tocris-0545 (+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol (R,S)-IFENPRODIL 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol NCGC00024643-01 AJ-08378 ZINC14669 (-)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol 4-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol SCHEMBL12618846 BDBM50007674 (1R,2S)-2-(4-Benzylpiperidino)-1-(4-hydroxyphenyl)propan-1-ol [ Show all ]
Inchi Key	UYNVMODNBIQBMV-KKSFZXQISA-N
Inchi ID	InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
PubChem CID	6604117
ChEMBL	CHEMBL49623
IUPHAR	N/A
BindingDB	50007674
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	610.0 nM	PMID1681106	BindingDB

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