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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	CHEMBL566760
Molecular formula	C32H37N9O5
IUPAC name	N-[(2S)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide
Molecular weight	627.706
Hydrogen bond acceptor	7
Hydrogen bond donor	8
XlogP	1.1
Synonyms	BDBM50301139 N-((S)-1-((R)-1-((S)-1-amino-5-guanidino-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)-6-hydroxy-2-naphthamide
Inchi Key	DLOCVLGKPMETOO-PFBJBMPXSA-N
Inchi ID	InChI=1S/C32H37N9O5/c33-28(43)25(7-4-12-37-32(34)35)39-30(45)26(13-19-5-2-1-3-6-19)41-31(46)27(16-23-17-36-18-38-23)40-29(44)22-9-8-21-15-24(42)11-10-20(21)14-22/h1-3,5-6,8-11,14-15,17-18,25-27,42H,4,7,12-13,16H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t25-,26-,27+/m1/s1
PubChem CID	45487285
ChEMBL	CHEMBL566760
IUPHAR	N/A
BindingDB	50301139
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	620.0 nM	PMID19635667	BindingDB,ChEMBL

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