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Name | 5-hydroxytryptamine receptor 2C |
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Species | Homo sapiens (Human) |
Gene | HTR2C |
Synonym | Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C [ Show all ] |
Disease | Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse [ Show all ] |
Length | 458 |
Amino acid sequence | MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV |
UniProt | P28335 |
Protein Data Bank | 6bqg, 6bqh |
GPCR-HGmod model | P28335 |
3D structure model | This structure is from PDB ID 6bqg. |
BioLiP | BL0404805, BL0404806 |
Therapeutic Target Database | T83813 |
ChEMBL | CHEMBL225 |
IUPHAR | 8 |
DrugBank | BE0004957, BE0004881, BE0000533 |
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 | AC1Q6V4R DSSTox_GSID_46324 NCGC00163168-02 Tox21_112023_1 4,7-dimethyl-(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amino-N,N-dimethyl sulfonamide [ 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 | 0.501187 - 1.99526 nM | PMID12527336, PMID15322733, PMID15107597 | IUPHAR |
Ki | 0.92 nM | PMID12519065 | ChEMBL |
Ki | 1.12 nM | PMID11882920 | BindingDB |
Ki | 1.5 nM | PMID3543362 | ChEMBL |
Ki | 1.69 nM | PMID9225287 | BindingDB |
Ki | 1.8 nM | PMID24878269 | BindingDB |
Ki | 1.82 nM | PMID24878269 | ChEMBL |
Ki | 1.995 nM | Bioorg. Med. Chem. Lett., (1996) 6:22:2687 | ChEMBL |
Ki | 2.0 nM | N/A | BindingDB |
Ki | 48.5 nM | PMID8510008 | BindingDB |
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