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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	CHEMBL75475
Molecular formula	C25H40N6O3
IUPAC name	(2S)-2-acetamido-N-[4-[acetyl(methyl)amino]cyclohexyl]-N-[4-(diaminomethylideneamino)butyl]-3-phenylpropanamide
Molecular weight	472.634
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	1.1
Synonyms	BDBM50130013 (S)-2-Acetylamino-N-[4-(acetyl-methyl-amino)-cyclohexyl]-N-(4-guanidino-butyl)-3-phenyl-propionamide
Inchi Key	AAIWNEBXEQQZCB-VNXZQDSDSA-N
Inchi ID	InChI=1S/C25H40N6O3/c1-18(32)29-23(17-20-9-5-4-6-10-20)24(34)31(16-8-7-15-28-25(26)27)22-13-11-21(12-14-22)30(3)19(2)33/h4-6,9-10,21-23H,7-8,11-17H2,1-3H3,(H,29,32)(H4,26,27,28)/t21?,22?,23-/m0/s1
PubChem CID	44315335
ChEMBL	CHEMBL75475
IUPHAR	N/A
BindingDB	50130013
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	<10000.0 nM	PMID12824029	BindingDB,ChEMBL

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