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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	CHEMBL340355
Molecular formula	C32H34ClN7O2
IUPAC name	(3R)-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight	584.121
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.1
Synonyms	(R)-N-((R)-1-(4-(2-((1H-1,2,4-triazol-1-yl)methyl)phenyl)piperazin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide BDBM50134486 (3R)-N-[(alphaR)-alpha-[4-[2-(1H-1,2,4-Triazole-1-ylmethyl)phenyl]piperazinocarbonyl]-4-chlorophenethyl]-1,2,3,4-tetrahydroisoquinoline-3beta-carboxamide LS-193659 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-oxo-2-[4-(2-[1,2,4]triazol-1-ylmethyl-phenyl)-piperazin-1-yl]-ethyl}-amide (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-oxo-2-[4-(2-[1,2,4]triazol-1-ylmethyl-phenyl)-piperazin-1-yl]-ethyl}-amide [ Show all ]
Inchi Key	PKHOEKKVDQTOOR-FQLXRVMXSA-N
Inchi ID	InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-12,21-22,28-29,35H,13-20H2,(H,37,41)/t28-,29-/m1/s1
PubChem CID	24848995
ChEMBL	CHEMBL340355
IUPHAR	N/A
BindingDB	50134486
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<3000.0 nM	PMID14552781	BindingDB,ChEMBL
Ki	24.0 nM	PMID15357964	BindingDB,ChEMBL

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