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GLASS

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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	MK-0489
Molecular formula	C34H44ClF2N3O2
IUPAC name	N-[2-[(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propan-2-yl]acetamide
Molecular weight	600.192
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.8
Synonyms	SCHEMBL4230002 CHEMBL1093304 trans-N-(2-((R)-1''-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)-6-chloro-5-methyl-2,3-dihydrospiro[indene-1,4''-piperidine]-3-yl)propan-2-yl)acetamide BDBM50314764
Inchi Key	KMNARKQYUZICHM-ZRRKCSAHSA-N
Inchi ID	InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
PubChem CID	11753695
ChEMBL	CHEMBL1093304
IUPHAR	N/A
BindingDB	50314764
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
EC50	1020.0 nM	PMID20207541	BindingDB,ChEMBL
Emax	18.0 %	PMID20207541	ChEMBL
IC50	1938.0 nM	PMID20207541	BindingDB,ChEMBL

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