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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	CHEMBL205397
Molecular formula	C26H28ClFN4O2
IUPAC name	3-(3-chloro-4-fluorophenyl)-1-[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]urea
Molecular weight	482.984
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.8
Synonyms	(-)-N''-(3-chloro-4-fluorophenyl)-N-[trans-5-(3-cyanophenyl)bicyclo[3.1.0]hex-2-yl]-N-[2-[3(R)-hydroxy-1-pyrrolidinyl]ethyl]urea (+)-N''-(3-chloro-4-fluorophenyl)-N-[trans-5-(3-cyanophenyl)bicyclo[3.1.0]h ex-2-yl]-N-[2-[3(R)-hydroxy-1-pyrrolidinyl]ethyl]urea BDBM50184918 SCHEMBL14265830
Inchi Key	OSEWYJWQLIPRDD-LXRCUPKFSA-N
Inchi ID	InChI=1S/C26H28ClFN4O2/c27-22-13-19(4-5-23(22)28)30-25(34)32(11-10-31-9-7-20(33)16-31)24-6-8-26(14-21(24)26)18-3-1-2-17(12-18)15-29/h1-5,12-13,20-21,24,33H,6-11,14,16H2,(H,30,34)/t20-,21-,24-,26-/m1/s1
PubChem CID	10238912
ChEMBL	CHEMBL205397
IUPHAR	N/A
BindingDB	50184918
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	13.0 nM	PMID16570926	BindingDB,ChEMBL
Ki	22.0 nM	PMID16570926	BindingDB,ChEMBL

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