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GLASS

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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	Homo sapiens (Human)
Gene	MC4R
Synonym	MC4-R MC4 receptor
Disease	Obesity; Sexual dysfunction Obesity; Diabetes Obesity Metabolic disorders Sexual dysfunction Sexual dysfunction; Obesity Female sexual dysfunction Erectile dysfunction Cachexia Anorexia nervosa cachexia [ Show all ]
Length	332
Amino acid sequence	MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
UniProt	P32245
Protein Data Bank	N/A
GPCR-HGmod model	P32245
3D structure model	This predicted structure model is from GPCR-EXP P32245.
BioLiP	N/A
Therapeutic Target Database	T72458
ChEMBL	CHEMBL259
IUPHAR	285
DrugBank	N/A

Ligand

Name	CHEMBL391915
Molecular formula	C30H39Cl2FN4O2
IUPAC name	1-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-[(1S)-1-(ethylamino)-3-methylbutyl]-6-fluorophenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
Molecular weight	577.566
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.7
Synonyms	1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-1-(ethylamino)-3-methylbutyl)-6-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)pyrrolidin-2-one BDBM50221142
Inchi Key	AGENZPFZMBQUPS-RRPNLBNLSA-N
Inchi ID	InChI=1S/C30H39Cl2FN4O2/c1-4-34-26(17-20(2)3)23-7-5-8-25(33)29(23)35-13-15-36(16-14-35)30(39)27(37-12-6-9-28(37)38)18-21-10-11-22(31)19-24(21)32/h5,7-8,10-11,19-20,26-27,34H,4,6,9,12-18H2,1-3H3/t26-,27+/m0/s1
PubChem CID	44433265
ChEMBL	CHEMBL391915
IUPHAR	N/A
BindingDB	50221142
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	6.2 nM	PMID17822895	BindingDB,ChEMBL

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