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GPCR

Name	5-hydroxytryptamine receptor 6
Species	Homo sapiens (Human)
Gene	HTR6
Synonym	5-HT6 receptor 5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled 5-HT-6 serotonin receptor 6 ST-B17 5-HT6 [ Show all ]
Disease	Schizophrenia Obesity Neurological disease Neurodegenerative disease Emesis Cognitive disorders Unspecified Anxiety disorder Alzheimer disease; Dementia Alzheimer disease; Anxiety disorder Alzheimer disease [ Show all ]
Length	440
Amino acid sequence	MVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLPSGAICFTYCRILLAARKQAVQVASLTTGMASQASETLQVPRTPRPGVESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIVQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCPRCPRERQASLASPSLRTSHSGPRPGLSLQQVLPLPLPPDSDSDSDAGSGGSSGLRLTAQLLLPGEATQDPPLPTRAAAAVNFFNIDPAEPELRPHPLGIPTN
UniProt	P50406
Protein Data Bank	N/A
GPCR-HGmod model	P50406
3D structure model	This predicted structure model is from GPCR-EXP P50406.
BioLiP	N/A
Therapeutic Target Database	T16691
ChEMBL	CHEMBL3371
IUPHAR	11
DrugBank	BE0000945

Ligand

Name	MOLINDONE
Molecular formula	C16H24N2O2
IUPAC name	3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
Molecular weight	276.38
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.7
Synonyms	I14-11948 Molindona [INN-Spanish] NCGC00162218-01 Prestwick3_001035 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-indol-4-one 416M344 AC1L2N2H BSPBio_001249 D09TPF DTXSID9023332 L001248 Molindone (MOL) NE48467 SPBio_003100 15622-65-8 (mono-hydrochloride) 3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-tetrahydro-indol-4-one 65973-37-7 AKOS015899067 CHEBI:6965 GTPL207 Moban (TN) Molindonum Prestwick1_001035 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one 3-Ethyl-2-methyl-6-(4-morpholinylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one # AB00514709_07 BPBio1_001374 CTK6D0629 Indol-4(5H)-one, 3-ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)- NCGC00162218-02 PubChem21442 (+-)-Molindone 3-ethyl-2-methyl-5-(morpholinomethyl)-1,5,6,7-tetrahydro-4H-indol-4-one 4H-Indol-4-one, 3-ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)- AC1Q2SRY C07230 EN-1733A LS-83891 Molindone Monohydrochloride Oprea1_038890 Z802671522 3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-tetrahydro-indol-4-one ( Molindone) 7416-34-4 AN-9381 HSDB 3131 Molindona Molindonum [INN-Latin] Prestwick2_001035 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one 3-Ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)indol-4(5H)-one AC-7052 BRD-A65280694-003-03-8 D08226 DB01618 KLPWJLBORRMFGK-UHFFFAOYSA-N Molindone (INN) NCGC00162218-03 SCHEMBL149233 3-ethyl-2-methyl-5-(morpholinomethyl)-1,5,6,7-tetrahydroindol-4-one AC1Q6J6B C16H24N2O2 EN300-51101 MCULE-4631580563 Molindone [INN:BAN] Prestwick0_001035 3-Ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)-4H-indol-4-one 3-ethyl-2-methyl-5-[(morpholin-4-yl)methyl]-4,5,6,7-tetrahydro-1H-indol-4-one AB00514709 BDBM50130290 CHEMBL460 [ Show all ]
Inchi Key	KLPWJLBORRMFGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
PubChem CID	23897
ChEMBL	CHEMBL460
IUPHAR	207
BindingDB	50130290
DrugBank	DB01618
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1008.0 nM	PMID12629531	PDSP,BindingDB

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