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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 | CHEMBL3612940 |
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Molecular formula | C22H22ClN5O3S |
IUPAC name | (1S,2R,3S,4R,5S)-4-[5-[2-(5-chlorothiophen-2-yl)ethynyl]-7-(ethylamino)imidazo[4,5-b]pyridin-3-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide |
Molecular weight | 471.96 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 2.3 |
Synonyms | BDBM50116878 |
Inchi Key | DTTFXWQRYRYGNI-RQEHDQILSA-N |
Inchi ID | InChI=1S/C22H22ClN5O3S/c1-3-25-14-8-11(4-5-12-6-7-15(23)32-12)27-20-16(14)26-10-28(20)17-13-9-22(13,21(31)24-2)19(30)18(17)29/h6-8,10,13,17-19,29-30H,3,9H2,1-2H3,(H,24,31)(H,25,27)/t13-,17-,18+,19+,22+/m1/s1 |
PubChem CID | 122188579 |
ChEMBL | CHEMBL3612940 |
IUPHAR | N/A |
BindingDB | 50116878 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 2500.0 nM | PMID26191370 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417