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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 | CHEMBL273921 |
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Molecular formula | C24H27FN4O2 |
IUPAC name | 2-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one |
Molecular weight | 422.504 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | 2-[2-[4-(5-fluoro-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,3,4,5-tetrahydro-1h-2-benzazepin-1-one BDBM50125260 2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-ethyl}-2,3,4,5-tetrahydro-benzo[c]azepin-1-one 2-[2-[4-(2-Oxo-5-fluoro-2,3-dihydro-1H-benzimidazole-1-yl)piperidino]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-1-one |
Inchi Key | KOTITFQGTVUMBT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31) |
PubChem CID | 9888494 |
ChEMBL | CHEMBL273921 |
IUPHAR | N/A |
BindingDB | 50125260 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 3311.0 nM | PMID12643910 | BindingDB |
Ki | 3311.31 nM | PMID12643910 | ChEMBL |
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