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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	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	CHEMBL8825
Molecular formula	C29H30N2O3
IUPAC name	6-[[naphthalen-1-ylmethyl(naphthalen-2-ylmethyl)carbamoyl]amino]hexanoic acid
Molecular weight	454.57
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.6
Synonyms	BDBM50111173 6-(3-Naphthalen-2-ylmethyl-3-naphthalen-1-ylmethyl-ureido)-hexanoic acid
Inchi Key	AIQVHEKDZNMUKX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H30N2O3/c32-28(33)15-2-1-7-18-30-29(34)31(20-22-16-17-23-9-3-4-11-25(23)19-22)21-26-13-8-12-24-10-5-6-14-27(24)26/h3-6,8-14,16-17,19H,1-2,7,15,18,20-21H2,(H,30,34)(H,32,33)
PubChem CID	44265374
ChEMBL	CHEMBL8825
IUPHAR	N/A
BindingDB	50111173
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1500.0 nM	PMID11909711	BindingDB,ChEMBL

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