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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	CHEMBL190953
Molecular formula	C44H65N13O8
IUPAC name	(2S)-2-acetamido-N-[2-[4-aminobutyl-[2-[[(2R)-1-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-(1H-indol-3-ylmethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
Molecular weight	904.087
Hydrogen bond acceptor	10
Hydrogen bond donor	10
XlogP	-0.7
Synonyms	BDBM50410239
Inchi Key	GJRWWAJUJBKGQU-QGBCWPEESA-N
Inchi ID	InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-40(62)56(21-11-10-19-45)28-39(61)54-36(22-30-13-6-5-7-14-30)42(64)55-35(18-12-20-49-44(47)48)43(65)57(27-38(60)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,60)(H,52,63)(H,53,58)(H,54,61)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1
PubChem CID	11251567
ChEMBL	CHEMBL190953
IUPHAR	N/A
BindingDB	50410239
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	1258.93 nM	PMID15974575	ChEMBL
EC50	1259.0 nM	PMID15974575	BindingDB
IC50	158.0 nM	PMID15974575	BindingDB
IC50	158.49 nM	PMID15974575	ChEMBL

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