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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Melanocortin receptor 5
Species	Homo sapiens (Human)
Gene	MC5R
Synonym	melanocortin receptor 5 MC5R MC5-R MC5 receptor MC-2
Disease	Acne vulgaris Seborrhea
Length	325
Amino acid sequence	MNSSFHLHFLDLNLNATEGNLSGPNVKNKSSPCEDMGIAVEVFLTLGVISLLENILVIGAIVKNKNLHSPMYFFVCSLAVADMLVSMSSAWETITIYLLNNKHLVIADAFVRHIDNVFDSMICISVVASMCSLLAIAVDRYVTIFYALRYHHIMTARRSGAIIAGIWAFCTGCGIVFILYSESTYVILCLISMFFAMLFLLVSLYIHMFLLARTHVKRIAALPGASSARQRTSMQGAVTVTMLLGVFTVCWAPFFLHLTLMLSCPQNLYCSRFMSHFNMYLILIMCNSVMDPLIYAFRSQEMRKTFKEIICCRGFRIACSFPRRD
UniProt	P33032
Protein Data Bank	N/A
GPCR-HGmod model	P33032
3D structure model	This predicted structure model is from GPCR-EXP P33032.
BioLiP	N/A
Therapeutic Target Database	T95302
ChEMBL	CHEMBL4608
IUPHAR	286
DrugBank	N/A

Ligand

Name	CHEMBL267020
Molecular formula	C28H31N5O
IUPAC name	(2S)-2-amino-5-(diaminomethylideneamino)-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)pentanamide
Molecular weight	453.59
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	3.5
Synonyms	N-(1-Naphthylmethyl)-N-(2-naphthylmethyl)-L-argininamide 2-Amino-5-guanidino-pentanoic acid naphthalen-2-ylmethyl-naphthalen-1-ylmethyl-amide 2-Amino-5-guanidino-pentanoic acid naphthalen-1-ylmethyl-naphthalen-2-ylmethyl-amide BDBM50111167
Inchi Key	ASPDVTPYWFOWKG-SANMLTNESA-N
Inchi ID	InChI=1S/C28H31N5O/c29-26(13-6-16-32-28(30)31)27(34)33(18-20-14-15-21-7-1-2-9-23(21)17-20)19-24-11-5-10-22-8-3-4-12-25(22)24/h1-5,7-12,14-15,17,26H,6,13,16,18-19,29H2,(H4,30,31,32)/t26-/m0/s1
PubChem CID	44265496
ChEMBL	CHEMBL267020
IUPHAR	N/A
BindingDB	50111167
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2500.0 nM	PMID11909711	BindingDB,ChEMBL
Ki	2511.89 nM	PMID12801221	ChEMBL
Ki	2700.0 nM	PMID11909711	BindingDB,ChEMBL

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