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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	CHEMBL2113004
Molecular formula	C34H46ClN5O4S
IUPAC name	N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1-cyclohexylazetidine-3-carboxamide
Molecular weight	656.283
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.8
Synonyms	LS-193316 BDBM50024300
Inchi Key	AKSYORBMAMSWCJ-SSEXGKCCSA-N
Inchi ID	InChI=1S/C34H46ClN5O4S/c1-45(43,44)40(22-26-11-12-26)32-10-6-5-9-31(32)37-17-19-38(20-18-37)34(42)30(21-25-13-15-28(35)16-14-25)36-33(41)27-23-39(24-27)29-7-3-2-4-8-29/h5-6,9-10,13-16,26-27,29-30H,2-4,7-8,11-12,17-24H2,1H3,(H,36,41)/t30-/m1/s1
PubChem CID	24848934
ChEMBL	CHEMBL2113004
IUPHAR	N/A
BindingDB	50024300
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1.8 nM	PMID15745810	BindingDB,ChEMBL
IC50	67.0 nM	PMID15745810	BindingDB,ChEMBL

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