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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	CHEMBL338768
Molecular formula	C32H35ClN4O4S
IUPAC name	(3R)-N-[(2R)-3-(4-chlorophenyl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight	607.166
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.0
Synonyms	1''-[3-(4-chlorophenyl)-2-[(3R)-1,2-dihydro-3-isoquinolinylcarboxamido]-(2R)-propanoyl]-1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)] BDBM50134495 1''-[3-(4-chlorophenyl)-2-[(3R)-1,4-dihydro-3-isoquinolinylcarboxamido]-(2R)-propanoyl]-1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)] (3R)-N-[(alphaR)-alpha-[[1'-(Methylsulfonyl)spiro[piperidine-4,3'-indoline]-1-yl]carbonyl]-4-chlorophenethyl]-1,2,3,4-tetrahydroisoquinoline-3beta-carboxamide
Inchi Key	AYRYPORYMTYECQ-VSGBNLITSA-N
Inchi ID	InChI=1S/C32H35ClN4O4S/c1-42(40,41)37-21-32(26-8-4-5-9-29(26)37)14-16-36(17-15-32)31(39)28(18-22-10-12-25(33)13-11-22)35-30(38)27-19-23-6-2-3-7-24(23)20-34-27/h2-13,27-28,34H,14-21H2,1H3,(H,35,38)/t27-,28-/m1/s1
PubChem CID	44349173
ChEMBL	CHEMBL338768
IUPHAR	N/A
BindingDB	50134495
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activation	100.0 %	PMID14698163	ChEMBL
EC50	5.2 nM	PMID14698163	BindingDB,ChEMBL
EC50	190.0 nM	PMID14552781	BindingDB,ChEMBL
IC50	66.0 nM	PMID14698163	BindingDB,ChEMBL
Stimulation	100.0 %	PMID14552781	ChEMBL

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