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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.
Go to the GPCR page and check other ligands which interact with it.
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	CHEMBL397580
Molecular formula	C31H40Cl2FN5O3
IUPAC name	3-amino-N-[(1S)-1-[2-[4-[(2R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperazin-1-yl]-3-fluorophenyl]-3-methylbutyl]propanamide
Molecular weight	620.591
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.1
Synonyms	3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-3-fluorophenyl)-3-methylbutyl)propanamide BDBM50221125
Inchi Key	AVPONLNZIPJOOI-RRPNLBNLSA-N
Inchi ID	InChI=1S/C31H40Cl2FN5O3/c1-20(2)17-26(36-28(40)10-11-35)23-5-3-6-25(34)30(23)37-13-15-38(16-14-37)31(42)27(39-12-4-7-29(39)41)18-21-8-9-22(32)19-24(21)33/h3,5-6,8-9,19-20,26-27H,4,7,10-18,35H2,1-2H3,(H,36,40)/t26-,27+/m0/s1
PubChem CID	44433294
ChEMBL	CHEMBL397580
IUPHAR	N/A
BindingDB	50221125
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	480.0 nM	PMID17822895	BindingDB,ChEMBL
Ki	1.9 nM	PMID17822895	BindingDB,ChEMBL

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