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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	CHEMBL591026
Molecular formula	C32H33N5O4
IUPAC name	2-[4-benzyl-6-(2H-indazol-3-ylmethyl)-5,7-dioxo-1,4-diazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
Molecular weight	551.647
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.1
Synonyms	BDBM50308331 (+/-)-2-[6-(1H-Indazol-3-ylmethyl)-5,7-dioxo-4-(phenylmethyl)-4,5,6,7-tetrahydro-1H-1,4-diazepin-1-yl]-N-(1-methylethyl)-N-[4-(methyloxy)phenyl]acetamide
Inchi Key	AOCBNSDOVIQENU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H33N5O4/c1-22(2)37(24-13-15-25(41-3)16-14-24)30(38)21-36-18-17-35(20-23-9-5-4-6-10-23)31(39)27(32(36)40)19-29-26-11-7-8-12-28(26)33-34-29/h4-18,22,27H,19-21H2,1-3H3,(H,33,34)
PubChem CID	46228845
ChEMBL	CHEMBL591026
IUPHAR	N/A
BindingDB	50308331
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<30000.0 nM	PMID20172734	ChEMBL
EC50	31622.8 nM	PMID20172734	ChEMBL
EC50	31623.0 nM	PMID20172734	BindingDB
Efficacy	6.0 %	PMID20172734	ChEMBL

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