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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 3
Species	Homo sapiens (Human)
Gene	MC3R
Synonym	MC3-R melanocortin receptor 3 MC3 receptor gamma-MSH receptor
Disease	Sexual dysfunction; Obesity; Type 2 diabetes
Length	323
Amino acid sequence	MNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVILAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFIVYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFREILCGCNGMNLG
UniProt	P41968
Protein Data Bank	N/A
GPCR-HGmod model	P41968
3D structure model	This predicted structure model is from GPCR-EXP P41968.
BioLiP	N/A
Therapeutic Target Database	T76846
ChEMBL	CHEMBL4644
IUPHAR	284
DrugBank	N/A

Ligand

Name	CHEMBL267020
Molecular formula	C28H31N5O
IUPAC name	(2S)-2-amino-5-(diaminomethylideneamino)-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)pentanamide
Molecular weight	453.59
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	3.5
Synonyms	2-Amino-5-guanidino-pentanoic acid naphthalen-1-ylmethyl-naphthalen-2-ylmethyl-amide BDBM50111167 N-(1-Naphthylmethyl)-N-(2-naphthylmethyl)-L-argininamide 2-Amino-5-guanidino-pentanoic acid naphthalen-2-ylmethyl-naphthalen-1-ylmethyl-amide
Inchi Key	ASPDVTPYWFOWKG-SANMLTNESA-N
Inchi ID	InChI=1S/C28H31N5O/c29-26(13-6-16-32-28(30)31)27(34)33(18-20-14-15-21-7-1-2-9-23(21)17-20)19-24-11-5-10-22-8-3-4-12-25(22)24/h1-5,7-12,14-15,17,26H,6,13,16,18-19,29H2,(H4,30,31,32)/t26-/m0/s1
PubChem CID	44265496
ChEMBL	CHEMBL267020
IUPHAR	N/A
BindingDB	50111167
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	7943.28 nM	PMID12801221	ChEMBL
Ki	9000.0 nM	PMID11909711	BindingDB,ChEMBL
Ki	18000.0 nM	PMID11909711	BindingDB,ChEMBL

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