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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 | CHEMBL116448 |
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Molecular formula | C18H27BrN2O2S |
IUPAC name | 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine |
Molecular weight | 415.39 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.0 |
Synonyms | SCHEMBL4298542 (R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2-yl)-ethyl)-4-methyl piperidine (2R)-1-(3-Bromophenylsulfonyl)-2-[2-(4-methylpiperidino)ethyl]pyrrolidine BDBM85610 |
Inchi Key | JBIWUVRCMUOUNK-QGZVFWFLSA-N |
Inchi ID | InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1 |
PubChem CID | 10573876 |
ChEMBL | CHEMBL116448 |
IUPHAR | N/A |
BindingDB | 85610 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | >5011.87 nM | PMID10669560 | ChEMBL |
Ki | 5011.87 nM | PMID10669560 | BindingDB |
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