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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Melanocyte-stimulating hormone receptor
Species	Homo sapiens (Human)
Gene	MC1R
Synonym	MSH-R Melanocortin receptor 1 melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor) MC1-R MC1 receptor
Disease	Atopic dermatitis
Length	317
Amino acid sequence	MAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVVATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVIDVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFIAYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGAVTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAFHSQELRRTLKEVLTCSW
UniProt	Q01726
Protein Data Bank	N/A
GPCR-HGmod model	Q01726
3D structure model	This predicted structure model is from GPCR-EXP Q01726.
BioLiP	N/A
Therapeutic Target Database	T35842
ChEMBL	CHEMBL3795
IUPHAR	282
DrugBank	BE0002447

Ligand

Name	CHEMBL214410
Molecular formula	C35H45FN8O3
IUPAC name	(2S)-2-[(3S)-3-[3-(diaminomethylideneamino)propyl]-4-[(2R)-3-(4-fluorophenyl)-2-piperazin-1-ylpropanoyl]-2-oxopiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
Molecular weight	644.796
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	2.3
Synonyms	(S)-2-((S)-4-((R)-3-(4-fluorophenyl)-2-(piperazin-1-yl)propanoyl)-3-(3-guanidinopropyl)-2-oxopiperazin-1-yl)-N-methyl-3-(naphthalen-2-yl)propanamide BDBM50189023
Inchi Key	BZEWEHPSOMSRJV-RWSKJCERSA-N
Inchi ID	InChI=1S/C35H45FN8O3/c1-39-32(45)30(23-25-8-11-26-5-2-3-6-27(26)21-25)44-20-19-43(29(33(44)46)7-4-14-41-35(37)38)34(47)31(42-17-15-40-16-18-42)22-24-9-12-28(36)13-10-24/h2-3,5-6,8-13,21,29-31,40H,4,7,14-20,22-23H2,1H3,(H,39,45)(H4,37,38,41)/t29-,30-,31+/m0/s1
PubChem CID	44415920
ChEMBL	CHEMBL214410
IUPHAR	N/A
BindingDB	50189023
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	3.7 nM	PMID16766182	BindingDB,ChEMBL
Emax	102.0 %	PMID16766182	ChEMBL
Ki	4.3 nM	PMID16766182	BindingDB,ChEMBL

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