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GLASS

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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	CHEMBL181161
Molecular formula	C37H45ClN10O5
IUPAC name	(2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-chlorophenyl)-2-(methylcarbamoylamino)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Molecular weight	745.282
Hydrogen bond acceptor	6
Hydrogen bond donor	9
XlogP	2.0
Synonyms	(S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(3-methyl-ureido)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide BDBM50152264
Inchi Key	ACTPUDHTSAXOLZ-ORYMTKCHSA-N
Inchi ID	InChI=1S/C37H45ClN10O5/c1-42-37(53)48-31(19-23-13-15-25(38)16-14-23)35(52)47-30(18-22-8-3-2-4-9-22)34(51)45-28(12-7-17-43-36(40)41)33(50)46-29(32(39)49)20-24-21-44-27-11-6-5-10-26(24)27/h2-6,8-11,13-16,21,28-31,44H,7,12,17-20H2,1H3,(H2,39,49)(H,45,51)(H,46,50)(H,47,52)(H4,40,41,43)(H2,42,48,53)/t28-,29-,30-,31-/m0/s1
PubChem CID	44394731
ChEMBL	CHEMBL181161
IUPHAR	N/A
BindingDB	50152264
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	8.5 nM	PMID15341935	BindingDB,ChEMBL

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