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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	1-(4-Chloro-3-nitro-benzenesulfonyl)-azepane
Molecular formula	C12H15ClN2O4S
IUPAC name	1-(4-chloro-3-nitrophenyl)sulfonylazepane
Molecular weight	318.772
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.7
Synonyms	AKOS000115072 EU-0071179 SR-01000751992-2 1-(4-chloro-3-nitrophenyl)sulfonylazepane 4-(azaperhydroepinylsulfonyl)-1-chloro-2-nitrobenzene MLS000713515 ZINC3885195 AC1MJMS0 CTK5I2568 SMR000272996 1-(4-chloro-3-nitro-phenyl)sulfonylazepane BAS 00668099 HMS2655J24 ST4053214 1-[(4-chloro-3-nitrophenyl)sulfonyl]azepane CHEMBL1458112 MolPort-000-679-667 1-(4-chloranyl-3-nitro-phenyl)sulfonylazepane AC1Q1WXO EN300-01531 SR-01000751992 1-(4-chloro-3-nitrobenzenesulfonyl)azepane BDBM62112 MCULE-2218611837 STK721843 312594-40-4 A2197/0092457 cid_3114950 NE41288 [ Show all ]
Inchi Key	CRHJSGALSIKJLW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H15ClN2O4S/c13-11-6-5-10(9-12(11)15(16)17)20(18,19)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2
PubChem CID	3114950
ChEMBL	CHEMBL1458112
IUPHAR	N/A
BindingDB	62112
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	8010.0 nM	PubChem BioAssay data set	ChEMBL
IC50	10100.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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