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GLASS

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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	2-Bromolysergic acid diethylamide
Molecular formula	C20H24BrN3O
IUPAC name	(6aR,9R)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	402.336
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.0
Synonyms	AC1Q279X BROMOLYSERGIDE GTPL272 ZINC13531276 BOL-148 D-2-Brom-diethylamide of lysergic acid LSD,2-Bromo 2-Br-LSD 478-84-2 9,10-Didehydro-N,N-diethyl-2-bromo-6-methylergoline-8-beta-carboxamide Bromo-LSD Ergoline-8-beta-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-6-methyl- USAF SZ-1 2-Bromo-D-lysergic acid diethylamide BDBM50130269 JUA77QEU32 (6aR,9R)-5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid diethylamide 2-bromolysergic acid diethylamide, BOL-148 Brom LSD D-2-Bromolysergic acid diethylamide SCHEMBL1883414 2-Brom-D-lysergic acid diethylamine 5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid diethylamide AC1L1UNB Bromolysergic acid diethylamide Ergoline-8-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-6-methyl-, (8beta)- VKRAXSZEDRWLAG-SJKOYZFVSA-N 2-Bromo-LSD BOL CHEMBL274384 LS-64332 (6aR,9R)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide Bromlysergamide D00VRV UNII-JUA77QEU32 2-Bromo-9,10-didehydro-N,N-diethyl-6-methylergoline-8-beta-carboxamide [ Show all ]
Inchi Key	VKRAXSZEDRWLAG-SJKOYZFVSA-N
Inchi ID	InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1
PubChem CID	10171
ChEMBL	CHEMBL274384
IUPHAR	272
BindingDB	50130269
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	7.47 nM	PMID9459568	BindingDB
Ki	8.09 nM	PMID9459568	BindingDB
Ki	8.56 nM	PMID8632342	BindingDB

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