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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	Mus musculus (Mouse)
Gene	Mc1r
Synonym	MC1 receptor MC1-R melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor) Melanocortin receptor 1 MSH-R
Disease	N/A for non-human GPCRs
Length	315
Amino acid sequence	MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIAITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDVLICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITYYKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAATLTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRSQELRMTLKEVLLCSW
UniProt	Q01727
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4077
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL2112213
Molecular formula	C26H27N5O2
IUPAC name	(2S)-N-[4-(aminomethyl)phenyl]-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
Molecular weight	441.535
Hydrogen bond acceptor	3
Hydrogen bond donor	5
XlogP	2.6
Synonyms	BDBM50404043
Inchi Key	FJVDDQFNULKYMY-DEOSSOPVSA-N
Inchi ID	InChI=1S/C26H27N5O2/c27-15-18-10-12-21(13-11-18)30-25(32)24(14-20-17-28-23-9-5-4-8-22(20)23)31-26(33)29-16-19-6-2-1-3-7-19/h1-13,17,24,28H,14-16,27H2,(H,30,32)(H2,29,31,33)/t24-/m0/s1
PubChem CID	71457994
ChEMBL	CHEMBL2112213
IUPHAR	N/A
BindingDB	50404043
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	400.0 nM	PMID12781199	BindingDB,ChEMBL

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