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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 | 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 | AC1L2AKM CHEBI:73378 DSSTox_CID_26324 Mesulergina [INN-Spanish] NCGC00163168-01 [ 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 | 19.49 nM | PMID9225287 | BindingDB |
Ki | 19.95 nM | Bioorg. Med. Chem. Lett., (1996) 6:22:2687 | ChEMBL |
Ki | 20.0 nM | N/A | BindingDB |
Ki | 31.6228 - 100.0 nM | PMID15322733, PMID8534270 | IUPHAR |
Ki | 128.82 nM | PMID7984267 | BindingDB |
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