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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	MLS001225295
Molecular formula	C24H27N5O5S
IUPAC name	4-amino-5-N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
Molecular weight	497.57
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	3.3
Synonyms	4-amino-N''-[2-(cyclohexylamino)-1-(2-furyl)-2-keto-ethyl]-N''-(2-methoxyphenyl)isothiazole-3,5-dicarboxamide BDBM62160 cid_3180687 Oprea1_462217 4-amino-5-N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide AKOS024308902 4-amino-N5-[2-(cyclohexylamino)-1-(2-furanyl)-2-oxoethyl]-N5-(2-methoxyphenyl)isothiazole-3,5-dicarboxamide MCULE-6523869858 AC1MKKPJ SMR000599924 4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-[(cyclohexylcarbamoyl-furan-2-yl-methyl)-(2-methoxy-phenyl)-amide] ASN 03900257 4-azanyl-N5-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxidanylidene-ethyl]-N5-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide CHEMBL1388042 AKOS000797724 [ Show all ]
Inchi Key	AJIYPQQWLOFUGX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H27N5O5S/c1-33-16-11-6-5-10-15(16)29(24(32)21-18(25)19(22(26)30)28-35-21)20(17-12-7-13-34-17)23(31)27-14-8-3-2-4-9-14/h5-7,10-14,20H,2-4,8-9,25H2,1H3,(H2,26,30)(H,27,31)
PubChem CID	3180687
ChEMBL	CHEMBL1388042
IUPHAR	N/A
BindingDB	62160
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<43807.0 nM	PubChem BioAssay data set	ChEMBL

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