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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.
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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	CHEMBL429854
Molecular formula	C31H40BrClFN3O2
IUPAC name	N-[(1S)-1-[2-[1-[(3S,4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
Molecular weight	621.032
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.9
Synonyms	BDBM50373472
Inchi Key	MIAUOPQGTJQSKK-GKRYNVPLSA-N
Inchi ID	InChI=1S/C31H40BrClFN3O2/c1-6-29(35-19(2)38)25-16-22(33)8-10-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-9-7-21(32)15-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29-/m0/s1
PubChem CID	44448629
ChEMBL	CHEMBL429854
IUPHAR	N/A
BindingDB	50373472
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	88.0 %	PMID18479920	ChEMBL
EC50	97.0 nM	PMID18479920	BindingDB
EC50	97.4 nM	PMID18479920	ChEMBL
IC50	1050.0 nM	PMID18479920	BindingDB,ChEMBL

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