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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000544661
Molecular formula	C18H12Br2N4
IUPAC name	2,4-bis(3-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine
Molecular weight	444.13
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.6
Synonyms	AJ-916/40989363 ZINC988040 CHEMBL1536422 2,4-bis(3-bromophenyl)-7-methyl-2H-pyrazolo[3,4-d]pyridazine MolPort-002-817-998 BDBM88589 cid_1214669 2,4-bis(3-bromophenyl)-7-methyl-pyrazolo[3,4-d]pyridazine SMR000164076 AC1LO5OX 2,4-bis(3-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine [ Show all ]
Inchi Key	AECFCCDRHPPLMX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H12Br2N4/c1-11-17-16(10-24(23-17)15-7-3-6-14(20)9-15)18(22-21-11)12-4-2-5-13(19)8-12/h2-10H,1H3
PubChem CID	1214669
ChEMBL	CHEMBL1536422
IUPHAR	N/A
BindingDB	88589
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<64596.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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