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Name | 5-hydroxytryptamine receptor 2B |
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Species | Homo sapiens (Human) |
Gene | HTR2B |
Synonym | stomach fundus serotonin receptor serotonin receptor 2B 5-HT2F 5-HT-2B 5-HT2B [ Show all ] |
Disease | Psychoses Migraine Irritable bowel syndrome Depression; Cerebral infarction Coronary heart disease [ 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 |
Name | Mesulergine |
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Molecular formula | C18H26N4O2S |
IUPAC name | (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline |
Molecular weight | 362.492 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 1.4 |
Synonyms | N'-(1,6-Dimethylergolin-8alpha-yl)-N,N-dimethylsulfamide SR-05000001430-1 9-N,N-dimethylsulfamide-4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline C18H26N4O2S CU-32085 [ Show all ] |
Inchi Key | JLVHTNZNKOSCNB-YSVLISHTSA-N |
Inchi ID | InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1 |
PubChem CID | 68848 |
ChEMBL | CHEMBL12314 |
IUPHAR | 206 |
BindingDB | 50024204 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 1.44 nM | PMID9225287 | BindingDB |
Ki | 1.58489 - 3.16228 nM | PMID15322733, PMID15107597, PMID9459568 | IUPHAR |
Ki | 1.92 nM | PMID9459568 | BindingDB |
Ki | 1.95 nM | PMID11882920 | BindingDB |
Ki | 1.995 nM | Bioorg. Med. Chem. Lett., (1996) 6:22:2687 | ChEMBL |
Ki | 2.0 nM | N/A | BindingDB |
Ki | 3.3 nM | PMID9459568 | BindingDB |
Ki | 3.62 nM | PMID8632342 | BindingDB |
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