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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	Ac-Ser-Tyr-Ser-Nle4-Glu-His-DPhe7-Arg-Trp-Gly-Lys-Pro-Val-NH2
Molecular formula	C78H111N21O19
IUPAC name	(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular weight	1646.87
Hydrogen bond acceptor	22
Hydrogen bond donor	22
XlogP	-3.9
Synonyms	Ac-Ser(1)-Tyr(2)-Ser(3)-Nle(4)-Glu(5)-His(6)-D-Phe(7)-Arg(8)-Trp(9)-Gly(10)-Lys(11)-Pro(12)-Val(13)-NH(2) Ac-Ser(1)-Tyr-Ser-Nle(4)-Glu-His(6)-D-Phe(7)-Arg(8)-Trp(9)-Gly-Lys-Pro-Val(13)-NH(2)
Inchi Key	UAHFGYDRQSXQEB-LEBBXHLNSA-N
Inchi ID	InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
PubChem CID	44285019
ChEMBL	CHEMBL441738
IUPHAR	1324
BindingDB	82411, 50017181
DrugBank	DB04931
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activation	100.0 %	PMID12904077	ChEMBL
Activity	100.0 %	PMID11150170	ChEMBL
EC50	0.13 nM	PMID13678399	ChEMBL
EC50	0.13 nM	PMID13678399	BindingDB
EC50	0.132 nM	PMID7658432	ChEMBL
EC50	0.132 nM	PMID7658432	BindingDB
EC50	0.24 nM	PMID11150170	ChEMBL
EC50	0.24 nM	PMID11150170	BindingDB
EC50	0.36 nM	PMID12873485	BindingDB
EC50	0.36 nM	PMID12873485	ChEMBL
EC50	0.8 nM	PMID15771429, PMID12904077	ChEMBL
EC50	0.8 nM	PMID15771429	BindingDB
EC50	0.8 nM	PMID12904077	BindingDB
EC50	4.1 nM	PMID9171884, PMID9216831	BindingDB,ChEMBL
IC50	1.17 nM	PMID9171884, PMID9216831	ChEMBL
IC50	1.2 nM	PMID9171884, PMID9216831	BindingDB
IC50	2.9 nM	PMID11150170	BindingDB,ChEMBL
IC50	3.3 nM	PMID15771429, PMID12904077	BindingDB,ChEMBL
IC50	3.8 nM	PMID7658432	BindingDB,ChEMBL
Ki	0.224 nM	PMID7774675	BindingDB
Ki	0.68 nM	PMID12873485	BindingDB
Ki	0.68 nM	PMID12873485	ChEMBL
Ki	0.78 nM	PMID22335602	BindingDB
Ki	0.78 nM	PMID22335602	ChEMBL
Ki	1.25893 nM	PMID10493100	IUPHAR
Maximal effect	100.0 %	PMID15771429	ChEMBL