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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 2B
Species	Homo sapiens (Human)
Gene	HTR2B
Synonym	stomach fundus serotonin receptor serotonin receptor 2B 5-HT2F 5-HT-2B 5-HT2B 5-HT2B receptor 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled [ Show all ]
Disease	Psychoses Migraine Irritable bowel syndrome Depression; Cerebral infarction Coronary heart disease Congestive heart failure Pulmonary arterial hypertension [ Show all ]
Length	481
Amino acid sequence	MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV
UniProt	P41595
Protein Data Bank	5tud, 5tvn, 6drx, 4ib4, 4nc3, 6dry, 6drz, 6ds0
GPCR-HGmod model	P41595
3D structure model	This structure is from PDB ID 5tud.
BioLiP	BL0425280, BL0425283, BL0425282, BL0239858, BL0239859, BL0265182, BL0265183, BL0368464, BL0425281, BL0385686,BL0385687, BL0425284, BL0425285, BL0425286, BL0368465, BL0425287
Therapeutic Target Database	T31204
ChEMBL	CHEMBL1833
IUPHAR	7
DrugBank	BE0000393

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	(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 (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 [ 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	219.0 nM	PMID19284718	BindingDB,ChEMBL
EC50	328.0 nM	PMID26704965	BindingDB,ChEMBL
EC50	478.0 nM	PMID25633969	BindingDB,ChEMBL
EC50	512.86 nM	PMID26704965	ChEMBL
EC50	513.0 nM	PMID26704965	BindingDB
EC50	794.33 nM	PMID18095642	ChEMBL
EC50	943.0 nM	PMID25633969, PMID21195614	BindingDB,ChEMBL
EC50	1000.0 nM	PMID18252809, PMID15713408	BindingDB,IUPHAR,ChEMBL
Emax	60.0 %	PMID21195614	ChEMBL
Emax	80.0 %	PMID26704965	ChEMBL
Emax	92.0 %	PMID25633969, PMID19284718	ChEMBL
Emax	100.0 %	PMID25633969, PMID21195614	ChEMBL
Ki	1.3 nM	PMID23177783	BindingDB,ChEMBL
Ki	158.489 nM	PMID18252809	IUPHAR
Ki	189.0 nM	PMID19284718	BindingDB,ChEMBL
Maximum response	100.0 %	PMID15713408	ChEMBL

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