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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 | quetiapine |
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Molecular formula | C21H25N3O2S |
IUPAC name | 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol |
Molecular weight | 383.51 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 2.1 |
Synonyms | LS-172170 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol NCGC00095911-04 2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol quetiapina [ Show all ] |
Inchi Key | URKOMYMAXPYINW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 |
PubChem CID | 5002 |
ChEMBL | CHEMBL716 |
IUPHAR | 50 |
BindingDB | 50095890 |
DrugBank | DB01224 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 213.5 nM | DrugMatrix in vitro pharmacology data | ChEMBL |
Ki | 135.9 nM | DrugMatrix in vitro pharmacology data | ChEMBL |
Ki | 251.19 nM | PMID17880057 | ChEMBL |
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