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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 | RS-102221 |
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Molecular formula | C27H31F3N4O7S |
IUPAC name | N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide |
Molecular weight | 612.621 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 3 |
XlogP | 2.7 |
Synonyms | RS 102221 HCl CHEBI:93519 N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxopentyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide N-{5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]dec-8-yl)pentanoyl] -2,4-dimethoxyphenyl}-4-(trifluoromethyl)benzenesulfonamide RS102221 [ Show all ] |
Inchi Key | HZZZZODVDSHQRG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37) |
PubChem CID | 3693566 |
ChEMBL | CHEMBL88402 |
IUPHAR | 187 |
BindingDB | 85098 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 234.42 nM | PMID11882920 | BindingDB |
Ki | 316.0 nM | N/A | BindingDB |
Ki | 316.23 nM | Bioorg. Med. Chem. Lett., (1996) 6:22:2687 | ChEMBL |
Ki | 794.328 - 1000.0 nM | PMID15322733, PMID9225287 | IUPHAR |
Ki | 812.83 nM | PMID9225287 | BindingDB |
Ki | 2884.03 nM | PMID15322733 | BindingDB |
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