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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	AMG-076 free base
Molecular formula	C26H33F3N2O2
IUPAC name	1-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]cyclohexane-1-carboxylic acid
Molecular weight	462.557
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.8
Synonyms	(4aR)-2-[2-(1-Carboxycyclohexyl)ethyl]-2,3,4,4abeta,5,6,11,11aalpha-octahydro-9-(trifluoromethyl)-11alpha-methyl-1H-pyrido[4,3-b]carbazole Cyclohexanecarboxylic acid, 1-(2-((4aR,11R,11aS)-1,3,4,4a,5,6,11,11a-octahydro-11-methyl-9-(trifluoromethyl)-2H-pyrido(4,3-b)carbazol-2-yl)ethyl)- 693823-79-9 HX4T7JEV3D 1-(2-((4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-3,4,4a,5,11,11a-hexahydro-1H-pyrido[4,3-b]carbazol-2(6H)-yl)ethyl)cyclohexanecarboxylic acid D0X4MC SCHEMBL2742722 CHEMBL2032049 DTXSID70219485 BDBM50383522 UNII-HX4T7JEV3D [ Show all ]
Inchi Key	WAOZNBXSEVIAGX-MBOZVWFJSA-N
Inchi ID	InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
PubChem CID	10004545
ChEMBL	CHEMBL2032049
IUPHAR	N/A
BindingDB	50383522
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	0.6 nM	PMID22542010	BindingDB,ChEMBL
IC50	1.2 nM	PMID22542010	BindingDB,ChEMBL
Ki	0.6 nM	PMID22542010	BindingDB,ChEMBL

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