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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 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	CHEMBL212976
Molecular formula	C37H43N5O3
IUPAC name	N-[(2R)-1-[(2S,4R)-2-[3-(diaminomethylideneamino)propyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
Molecular weight	605.783
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	5.0
Synonyms	N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(naphthalen-2-yl-methoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide BDBM50191558
Inchi Key	AEBQLEXRXNCRKU-LBFZIJHGSA-N
Inchi ID	InChI=1S/C37H43N5O3/c38-37(39)40-21-9-16-32-24-33(45-26-29-17-19-30-14-7-8-15-31(30)22-29)25-42(32)36(44)34(23-28-12-5-2-6-13-28)41-35(43)20-18-27-10-3-1-4-11-27/h1-8,10-15,17,19,22,32-34H,9,16,18,20-21,23-26H2,(H,41,43)(H4,38,39,40)/t32-,33+,34+/m0/s1
PubChem CID	11845276
ChEMBL	CHEMBL212976
IUPHAR	N/A
BindingDB	50191558
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	2051.0 nM	PMID16854081	BindingDB,ChEMBL
Emax	19.0 %	PMID16854081	ChEMBL
Ki	403.0 nM	PMID16854081	BindingDB,ChEMBL

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