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GLASS

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GPCR

Name	Melanin-concentrating hormone receptor 1
Species	Homo sapiens (Human)
Gene	MCHR1
Synonym	SLC-1 Somatostatin receptor-like protein MCHR-1 MCHR MCH1R MCH1 receptor MCH-R1 MCH-1R MCH receptor 1 GPR24 G-protein coupled receptor 24 G protein-coupled receptor 24 [ Show all ]
Disease	Obesity Obesity; Anxiety; Depression
Length	422
Amino acid sequence	MSVGAMKKGVGRAVGLGGGSGCQATEEDPLPNCGACAPGQGGRRWRLPQPAWVEGSSARLWEQATGTGWMDLEASLLPTGPNASNTSDGPDNLTSAGSPPRTGSISYINIIMPSVFGTICLLGIIGNSTVIFAVVKKSKLHWCNNVPDIFIINLSVVDLLFLLGMPFMIHQLMGNGVWHFGETMCTLITAMDANSQFTSTYILTAMAIDRYLATVHPISSTKFRKPSVATLVICLLWALSFISITPVWLYARLIPFPGGAVGCGIRLPNPDTDLYWFTLYQFFLAFALPFVVITAAYVRILQRMTSSVAPASQRSIRLRTKRVTRTAIAICLVFFVCWAPYYVLQLTQLSISRPTLTFVYLYNAAISLGYANSCLNPFVYIVLCETFRKRLVLSVKPAAQGQLRAVSNAQTADEERTESKGT
UniProt	Q99705
Protein Data Bank	N/A
GPCR-HGmod model	Q99705
3D structure model	This predicted structure model is from GPCR-EXP Q99705.
BioLiP	N/A
Therapeutic Target Database	T09572
ChEMBL	CHEMBL344
IUPHAR	280
DrugBank	BE0003478

Ligand

Name	CHEMBL3665327
Molecular formula	C24H21F3N4O
IUPAC name	1-(10-methyl-2,3,4,5-tetrahydro-1H-azepino[3,4-b]indol-8-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]pyridin-2-one
Molecular weight	438.454
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.8
Synonyms	US8637501, 20 BDBM113616 SCHEMBL12949617
Inchi Key	APSUNACFKQHVBK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H21F3N4O/c1-30-21-12-17(5-6-19(21)18-3-2-9-28-14-22(18)30)31-10-8-15(11-23(31)32)20-7-4-16(13-29-20)24(25,26)27/h4-8,10-13,28H,2-3,9,14H2,1H3
PubChem CID	49869074
ChEMBL	CHEMBL3665327
IUPHAR	N/A
BindingDB	113616
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	242.0 nM	, None	BindingDB,ChEMBL

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