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GLASS

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

Name	5-hydroxytryptamine receptor 7
Species	Homo sapiens (Human)
Gene	HTR7
Synonym	5-HT-7 Serotonin receptor 7 5-HT-X 5-HT1Y 5-HT7 GPRFO 5-HT7 receptor 5-HTx 5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled [ Show all ]
Disease	Sleep disorders Schizophrenia Major depressive disorder
Length	479
Amino acid sequence	MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD
UniProt	P34969
Protein Data Bank	N/A
GPCR-HGmod model	P34969
3D structure model	This predicted structure model is from GPCR-EXP P34969.
BioLiP	N/A
Therapeutic Target Database	T79062
ChEMBL	CHEMBL3155
IUPHAR	12
DrugBank	BE0000650, BE0004862

Ligand

Name	CHEMBL1836792
Molecular formula	C24H24F4N2O
IUPAC name	5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one
Molecular weight	432.463
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.8
Synonyms	BDBM50354498 SCHEMBL5176507
Inchi Key	AFFLRZAJRVFCHF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H24F4N2O/c25-19-7-8-22-21(15-19)20(23(31)29-22)6-1-2-11-30-12-9-16(10-13-30)17-4-3-5-18(14-17)24(26,27)28/h3-5,7-9,14-15,20H,1-2,6,10-13H2,(H,29,31)
PubChem CID	11532105
ChEMBL	CHEMBL1836792
IUPHAR	N/A
BindingDB	50354498
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	40.0 nM	PMID21859099	BindingDB,ChEMBL

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