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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Histamine H3 receptor
Species	Rattus norvegicus (Rat)
Gene	Hrh3
Synonym	GPCR97 H3 receptor H3R HH3R
Disease	N/A for non-human GPCRs
Length	445
Amino acid sequence	MERAPPDGLMNASGTLAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCASSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMALVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGREAGPEPPPDAQPSPPPAPPSCWGCWPKGHGEAMPLHRYGVGEAGPGVEAGEAALGGGSGGGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGRCIPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHGSLEQCWK
UniProt	Q9QYN8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4124
IUPHAR	264
DrugBank	N/A

Ligand

Name	Cilansetron
Molecular formula	C20H21N3O
IUPAC name	(12R)-12-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one
Molecular weight	319.408
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	2.6
Synonyms	120635-74-7 Cilansetron [USAN:INN] SCHEMBL15950 Calmactin DB04885 GTPL2297 2J6DQ1U5B5 D03495 UNII-2J6DQ1U5B5 DTXSID40152951 (-)-(R)-5,6,9,10-Tetrahydro-10-((2-methylimidazol-1-yl)methyl)-4H-pyrido(3,2,1-jk)carbazol-11(8H)-one Cilansetron (USAN/INN) KC-9946 4H-Pyrido(3,2,1-jk)carbazol-11(8H)-one, 5,6,9,10-tetrahydro-10-((2-methyl-1H-imidazol-1-yl)methyl)-, (R)- D0Z2MB CHEMBL2103778 DU-123265 [ Show all ]
Inchi Key	NCNFDKWULDWJDS-OAHLLOKOSA-N
Inchi ID	InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1
PubChem CID	6918107
ChEMBL	CHEMBL2103778
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID8246239	ChEMBL

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