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Name | 5-hydroxytryptamine receptor 2A |
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Species | Homo sapiens (Human) |
Gene | HTR2A |
Synonym | 5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor [ Show all ] |
Disease | Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia [ Show all ] |
Length | 471 |
Amino acid sequence | MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV |
UniProt | P28223 |
Protein Data Bank | 6a93, 6a94 |
GPCR-HGmod model | P28223 |
3D structure model | This structure is from PDB ID 6a93. |
BioLiP | BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027 |
Therapeutic Target Database | T32060 |
ChEMBL | CHEMBL224 |
IUPHAR | 6 |
DrugBank | BE0000451 |
Name | sumatriptan |
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Molecular formula | C14H21N3O2S |
IUPAC name | 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide |
Molecular weight | 295.401 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 0.9 |
Synonyms | Sumatriptan (JAN/USP/INN) AB00698285-12 Zecuity API0004291 BRN 6930870 [ Show all ] |
Inchi Key | KQKPFRSPSRPDEB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 |
PubChem CID | 5358 |
ChEMBL | CHEMBL128 |
IUPHAR | 54 |
BindingDB | 50005835 |
DrugBank | DB00669 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <10000.0 nM | PMID9357515 | BindingDB,ChEMBL |
IC50 | 7943.28 nM | PMID7752204 | BindingDB,ChEMBL |
Ki | <1000.0 nM | PMID8071931 | BindingDB,ChEMBL |
Ki | <10000.0 nM | PMID9225287 | PDSP,BindingDB |
Ki | 376.0 nM | PMID9632349 | BindingDB,ChEMBL |
p[A50] | 6.2 - | PMID7658443 | ChEMBL |
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