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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	CHEMBL396429
Molecular formula	C32H42ClF3N4O3
IUPAC name	tert-butyl (3S,4R)-3-[4-[2-[(1S)-1-amino-3-methylbutyl]-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-4-(4-chlorophenyl)pyrrolidine-1-carboxylate
Molecular weight	623.158
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.8
Synonyms	(3S,4R)-tert-butyl 3-(1-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazine-4-carbonyl)-4-(4-chlorophenyl)pyrrolidine-1-carboxylate BDBM50224675
Inchi Key	AOLMHZJVJOCHOG-VJGNERBWSA-N
Inchi ID	InChI=1S/C32H42ClF3N4O3/c1-20(2)16-27(37)24-17-22(32(34,35)36)8-11-28(24)38-12-14-39(15-13-38)29(41)26-19-40(30(42)43-31(3,4)5)18-25(26)21-6-9-23(33)10-7-21/h6-11,17,20,25-27H,12-16,18-19,37H2,1-5H3/t25-,26+,27-/m0/s1
PubChem CID	44433379
ChEMBL	CHEMBL396429
IUPHAR	N/A
BindingDB	50224675
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Intrinsic activity	32.0 %	PMID17933528	ChEMBL
Ki	390.0 nM	PMID17933528	BindingDB,ChEMBL

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