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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	CHEMBL137344
Molecular formula	C27H34N4O2S
IUPAC name	(2S,5R)-5-(4-aminobutyl)-2-(1H-indol-3-ylmethyl)-7-(2-phenylethyl)-1,4,7-thiadiazonane-3,6-dione
Molecular weight	478.655
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	3.8
Synonyms	(2S,5R)-5-(4-Amino-butyl)-2-(1H-indol-3-ylmethyl)-7-phenethyl-[1,4,7]thiadiazonane-3,6-dione BDBM50082010 (6R,9S)-4-Phenethyl-6-(4-aminobutyl)-9-[(1H-indole-3-yl)methyl]-1-thia-4,7-diazacyclononane-5,8-dione
Inchi Key	AAFBBYLIBYKZEB-RPBOFIJWSA-N
Inchi ID	InChI=1S/C27H34N4O2S/c28-14-7-6-12-24-27(33)31(15-13-20-8-2-1-3-9-20)16-17-34-25(26(32)30-24)18-21-19-29-23-11-5-4-10-22(21)23/h1-5,8-11,19,24-25,29H,6-7,12-18,28H2,(H,30,32)/t24-,25+/m1/s1
PubChem CID	9982536
ChEMBL	CHEMBL137344
IUPHAR	N/A
BindingDB	50082010
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	63400.0 nM	PMID10543881	BindingDB,ChEMBL

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