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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL403967
Molecular formula	C33H47ClFN5O2
IUPAC name	N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]-3-fluorophenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
Molecular weight	600.22
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.8
Synonyms	BDBM50373507
Inchi Key	ADDYZXQTBNTXEL-QXIHQKPUSA-N
Inchi ID	InChI=1S/C33H47ClFN5O2/c1-22(2)31(36-30(41)14-15-37(5)6)26-8-7-9-29(35)32(26)38-16-18-39(19-17-38)33(42)28-21-40(23(3)4)20-27(28)24-10-12-25(34)13-11-24/h7-13,22-23,27-28,31H,14-21H2,1-6H3,(H,36,41)/t27-,28+,31-/m0/s1
PubChem CID	44456027
ChEMBL	CHEMBL403967
IUPHAR	N/A
BindingDB	50373507
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	20.0 nM	PMID18032040	BindingDB,ChEMBL
Intrinsic activity	103.0 %	PMID18032040	ChEMBL
Ki	5.3 nM	PMID18032040	BindingDB,ChEMBL

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