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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	clomipramine
Molecular formula	C19H23ClN2
IUPAC name	3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Molecular weight	314.857
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.2
Synonyms	NCGC00015264-03 Anafranil (TN) NCGC00015264-13 BPBio1_000130 NUV44L116D C06918 PubChem17200 Chlomipramine Clomipramine [INN:BAN] 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine DivK1c_000797 3-chloro-10,11-dihydro-N,N-dimethyl-5H-Dibenz(b,f)azepine-5-propanamine G-34586 5H-Dibenz(b,f)azepine, 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)- KBio2_000924 5H-Dibenz[b,f]azepine, 3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro- Lopac0_000307 AB05476 Spectrum2_001729 Tox21_110117_1 AJ-08424 NCGC00015264-06 AX8246819 NCGC00024355-05 BRD-K52989797-003-05-8 PDSP2_000240 CAS-303-49-1 SCHEMBL35423 Clomicalm 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)-5H-dibenz(b,f)azepine CLOMIPRIMINE 3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine DSSTox_GSID_22844 3-Chloro-5-[3-(dimethylamino)propyl]-10,f]azepine HMS3428J14 5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-(8CI) KBio3_002514 83162-38-3 MolPort-002-051-949 Spectrum5_001235 ZINC20248 NCGC00015264-01 AN-44193 NCGC00015264-09 BIDD:PXR0151 NSC-169865 BSPBio_000118 Prestwick2_000269 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine;hydrochloride 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE EINECS 206-144-2 303C491 IDI1_000797 5H-Dibenz[b, 3-chloro-10,11-dihydro-N,N-dimethyl- L000890 AB00053695_15 SPBio_001778 Tocris-0457 AC1L1EHZ NCGC00015264-04 Anafranil base NCGC00024355-02 BPBio1_000661 Oprea1_312582 C14H12ClN.C6H15N SBI-0050295.P003 Chlorimipramine (3-{5-chloro-2-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)dimethylamine Clomipraminum 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride DS-6718 3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine GDLIGKIOYRNHDA-UHFFFAOYSA-N 5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro- KBio2_003492 5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl- LS-60386 Spectrum3_001707 UNII-NUV44L116D AK122641 NCGC00015264-07 BBL028455 NINDS_000797 BRD-K52989797-003-16-5 Prestwick0_000269 CCG-110307 Clomipramina 17321-77-6 (mono-hydrochloride) D07727 3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine # DSSTox_RID_76755 3-Chloroimipramine HSDB 7746 5H-Dibenz(b,f)azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl- KBioGR_000759 AB00053695 Monochlorimipramine Spectrum_000444 NCGC00015264-02 Anafranil (free base) NCGC00015264-10 Biomol-NT_000151 NSC169865 BSPBio_003294 Prestwick3_000269 CHEMBL415 Clomipramine (INN) 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine DB01242 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine G 34586 5-20-08-00103 (Beilstein Handbook Reference) KBio1_000797 5H-Dibenz[b, 3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro- Lopac-C-7291 AB00053695_16 SPBio_002337 Tox21_110117 ACM303491 NCGC00015264-05 API0002067 NCGC00024355-04 BRD-K52989797-001-01-1 PDSP1_000241 CAS-17321-77-6 SC-80642 cid_68539 Clomipraminum [INN-Latin] 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-dimethyl-amine;hydrochloride DSSTox_CID_2844 3-Chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine GTPL2398 5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro- (8CI) KBio2_006060 MCULE-6443168248 Spectrum4_000350 WLN: T C676 BN & T & J B3N1 & 1 EG N-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N,N-dimethylamine AKOS001487687 NCGC00015264-08 BDBM77970 NSC 169865 BRN 1323477 Prestwick1_000269 CHEBI:47780 Clomipramina [INN-Spanish] 3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine;hydrochloride D0ZS8P 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine DTXSID6022844 303-49-1 Hydiphen 5H-Dibenz[b, 10,11-dihydro-3-chloro-5-[3-(dimethylamino)propyl]- KBioSS_000924 AB00053695-14 STK534842 [ Show all ]
Inchi Key	GDLIGKIOYRNHDA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
PubChem CID	2801
ChEMBL	CHEMBL415
IUPHAR	N/A
BindingDB	77970
DrugBank	DB01242
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	245.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	112.0 nM	PMID22537153	BindingDB,ChEMBL
Ki	114.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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