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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	CHEMBL214332
Molecular formula	C77H109N21O19S
IUPAC name	(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular weight	1664.91
Hydrogen bond acceptor	23
Hydrogen bond donor	23
XlogP	-4.3
Synonyms	2-Tyr-alpha-msh Ac-Ser-Tyr-Ser-Met-Glu-His--Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2 Ac-Ser-Tyr-Ser-Met-Glu-His6-Phe7-Arg8-Trp9-Gly-Lys-Pro-Val-NH2 Msh, 2-tyrosine-alpha- (2-D-Tyrosine)-alpha-msh Ac-Ser-Tyr-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2 alpha-MSH; Ac-Ser-Tyr-Ser-Met-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pro-Val-NH2 2-Tyrosine-alpha-msh Ac-Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2(alpha-Melanotropin, MSH) 75487-36-4 alpha-Melanotropin, 2-D-tyrosine- (alpha-MSH)Ac-Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2 Ac-Ser-Tyr-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2 BDBM50029747 3,5-Ditritiotyr(2)-alpha-msh Ac-Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2(alpha-MSH) Msh, 2-tyr-alpha- Ac-S-Y-S-M-E-H-F-R-W-G-K-P-V-NH2 alpha-MSH (Ac-Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2) [ Show all ]
Inchi Key	WHNFPRLDDSXQCL-UAZQEYIDSA-N
Inchi ID	InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
PubChem CID	16132144
ChEMBL	CHEMBL214332
IUPHAR	N/A
BindingDB	50029747
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Accumulation	100.0 %	PMID15808454	ChEMBL
Activation	100.0 %	PMID12904077	ChEMBL
Activity	25.0 %	PMID16451057	ChEMBL
Activity	73.0 %	PMID16451057	ChEMBL
Activity	85.0 %	PMID16451057	ChEMBL
Activity	86.0 %	PMID16451057	ChEMBL
Activity	87.0 %	PMID16451057	ChEMBL
Activity	89.0 %	PMID16451057	ChEMBL
Activity	100.0 %	PMID16451057	ChEMBL
Activity	105.0 %	PMID16451057	ChEMBL
Activity	107.0 %	PMID16451057	ChEMBL
Activity	135.0 %	PMID16451057	ChEMBL
cAMP accumulation	100.0 %	PMID15582434	ChEMBL
EC50	0.21 nM	PMID13678399	BindingDB
EC50	0.21 nM	PMID13678399, PMID7658432	BindingDB,ChEMBL
EC50	0.65 nM	PMID24517312	BindingDB
EC50	0.65 nM	PMID24517312	ChEMBL
EC50	1.8 nM	PMID16451057	BindingDB,ChEMBL
EC50	1.9 nM	PMID15582434, PMID15808454, PMID15982875	BindingDB,ChEMBL
EC50	2.1 nM	PMID12904077, PMID15771429	BindingDB,ChEMBL
EC50	2.2 nM	PMID20329799	BindingDB,ChEMBL
EC50	2.6 nM	PMID16451057	BindingDB,ChEMBL
EC50	2.9 nM	PMID16451057	BindingDB,ChEMBL
EC50	3.4 nM	PMID22335602	BindingDB,ChEMBL
EC50	6.1 nM	PMID14552781	BindingDB,ChEMBL
EC50	7.1 nM	PMID16451057	BindingDB,ChEMBL
EC50	18.0 nM	PMID16451057	BindingDB,ChEMBL
EC50	21.0 nM	PMID16451057	BindingDB,ChEMBL
EC50	25.0 nM	PMID12161144, PMID12467633	BindingDB,ChEMBL
EC50	27.0 nM	PMID16451057	BindingDB,ChEMBL
EC50	72.9 nM	PMID16678415	BindingDB,ChEMBL
EC50	89.0 nM	PMID16451057	BindingDB,ChEMBL
EC50	156.0 nM	PMID16451057	BindingDB,ChEMBL
Emax	99.0 %	PMID20329799	ChEMBL
IC50	5.0 nM	PMID15771429, PMID12904077	BindingDB,ChEMBL
IC50	19.0 nM	PMID15582434, PMID15808454, PMID15982875	BindingDB,ChEMBL
IC50	38.7 nM	PMID9171884	ChEMBL
IC50	39.0 nM	PMID9171884	BindingDB
Ki	8.6 nM	PMID16451057	BindingDB,ChEMBL
Ki	9.3 nM	PMID16451057	BindingDB,ChEMBL
Ki	21.0 nM	PMID20329799	BindingDB,ChEMBL
Ki	22.0 nM	PMID16451057	BindingDB,ChEMBL
Ki	25.0 nM	PMID16451057	BindingDB,ChEMBL
Ki	26.0 nM	PMID22335602	BindingDB,ChEMBL
Ki	32.0 nM	PMID16451057	BindingDB,ChEMBL
Ki	116.0 nM	PMID16451057	BindingDB,ChEMBL
Ki	130.0 nM	PMID16451057	BindingDB,ChEMBL
Ki	137.0 nM	PMID16451057	BindingDB,ChEMBL
Ki	231.0 nM	PMID16451057	BindingDB,ChEMBL
Ki	257.0 nM	PMID16451057	BindingDB,ChEMBL
Max	100.0 %	PMID15982875	ChEMBL
Maximal effect	100.0 %	PMID15771429	ChEMBL