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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Melanocortin receptor 4
Species	Mus musculus (Mouse)
Gene	Mc4r
Synonym	MC4 receptor MC4-R
Disease	N/A for non-human GPCRs
Length	332
Amino acid sequence	MNSTHHHGMYTSLHLWNRSSYGLHGNASESLGKGHPDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVRRVGIIISCIWAACTVSGVLFIIYSDSSAVIICLISMFFTMLVLMASLYVHMFLMARLHIKRIAVLPGTGTIRQGTNMKGAITLTILIGVFVVCWAPFFLHLLFYISCPQNPYCVCFMSHFNLYLILIMCNAVIDPLIYALRSQELRKTFKEIICFYPLGGICELSSRY
UniProt	P56450
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3719
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL393576
Molecular formula	C30H40Cl2FN5O2
IUPAC name	1-[(2R)-1-[4-[2-[(1S)-1-(2-aminoethylamino)-3-methylbutyl]-6-fluorophenyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]pyrrolidin-2-one
Molecular weight	592.581
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.4
Synonyms	BDBM50221120 N-(1-aminoethyl)-N-[(1S)-(2-{4-[(2R)-(2-oxo-1-pyrrolidinyl)-3-(2,4-dichlorophenyl)propionyl]-1-piperazinyl}-3-fluorophenyl)-3-methylbutyl]amine 1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methylbutyl)-6-fluorophenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one
Inchi Key	CGANDSYNDFLFKG-RRPNLBNLSA-N
Inchi ID	InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1
PubChem CID	24180646
ChEMBL	CHEMBL393576
IUPHAR	N/A
BindingDB	50221120
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.71 nM	PMID17822895, PMID17994683	BindingDB
Ki	0.71 nM	PMID17822895, PMID17994683	ChEMBL

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