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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

Ligand

Name	Lorcaserin
Molecular formula	C11H14ClN
IUPAC name	(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Molecular weight	195.69
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.7
Synonyms	(R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine 637E494O0Z ANW-60436 Belvig D01JMC FT-0670852 NCGC00182550-01 UNII-637E494O0Z 1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, (1R)- AC-553 API0005054 CHEBI:65353 DSSTox_CID_28585 HY-11093 SCHEMBL169382 ZINC6733300 (1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine AM81248 BC224451 CS-1232 DTXSID3048659 Lorqess Tox21_113018_1 (R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine AB0148401 APD 356 Belviq GTPL2941 NCGC00182550-02 W-5409 202L927 AJ-56780 AR-10A DSSTox_GSID_48659 TL80074203 (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine 616202-92-7 AN-6779 BDBM50161646 CTK8B8482 FCH873876 LS-193332 TX-017673 10-chloro-2-methyl-4-azabicyclo[5.4.0]undeca-8,10,12-triene AB52744 APD356 CAS-616202-92-7 DB04871 HSDB 8128 SB16626 XTTZERNUQAFMOF-QMMMGPOBSA-N (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine AKOS006326204 AX8136671 CHEMBL360328 DSSTox_RID_82856 Lorcaserin [INN] Tox21_113018 [ Show all ]
Inchi Key	XTTZERNUQAFMOF-QMMMGPOBSA-N
Inchi ID	InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
PubChem CID	11658860
ChEMBL	CHEMBL360328
IUPHAR	2941
BindingDB	50161646
DrugBank	DB04871
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	158.489 nM	PMID18252809	IUPHAR
EC50	158.49 nM	PMID18095642	ChEMBL
EC50	165.96 nM	PMID26704965	ChEMBL
EC50	166.0 nM	PMID26704965	BindingDB
EC50	190.0 nM	PMID15713408	BindingDB,ChEMBL
EC50	258.0 nM	PMID26704965	BindingDB,ChEMBL
EC50	302.0 nM	PMID25633969	BindingDB,ChEMBL
EC50	616.0 nM	PMID19284718	BindingDB,ChEMBL
Emax	26.0 %	PMID19284718	ChEMBL
Emax	67.0 %	PMID26704965	ChEMBL
Emax	68.0 %	PMID25633969	ChEMBL
Ki	1.3 nM	PMID23177783	BindingDB,ChEMBL
Ki	158.489 nM	PMID18252809	IUPHAR
Ki	2782.0 nM	PMID19284718	BindingDB,ChEMBL
Maximum response	70.0 %	PMID15713408	ChEMBL

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