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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000587374
Molecular formula	C30H44N2O4
IUPAC name	2,5-bis(ethylaminomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione
Molecular weight	496.692
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.2
Synonyms	2,5-bis[(ethylamino)methyl]-1,6-bis(4-propoxyphenyl)hexane-1,6-dione AKOS005471270 STK541333 2,5-bis(ethylaminomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione;hydrochloride cid_12005598 MolPort-000-745-358 BDBM41950 2,5-Bis-ethylaminomethyl-1,6-bis-(4-propoxy-phenyl)-hexane-1,6-dione MCULE-3502299790 AC1MYPVY SMR000211418 2,5-bis(ethylaminomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione CHEMBL1617453 [ Show all ]
Inchi Key	CKJMLCBLCIPXFD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H44N2O4/c1-5-19-35-27-15-11-23(12-16-27)29(33)25(21-31-7-3)9-10-26(22-32-8-4)30(34)24-13-17-28(18-14-24)36-20-6-2/h11-18,25-26,31-32H,5-10,19-22H2,1-4H3
PubChem CID	3835696
ChEMBL	N/A
IUPHAR	N/A
BindingDB	41950
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<89245.0 nM	N/A	BindingDB

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