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GLASS

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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	CHEMBL2113280
Molecular formula	C26H30N6O
IUPAC name	(2S)-2-amino-5-(diaminomethylideneamino)-N-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)pentanamide
Molecular weight	442.567
Hydrogen bond acceptor	3
Hydrogen bond donor	4
XlogP	2.4
Synonyms	N-(1H-Indole-3-ylmethyl)-N-(1-naphthylmethyl)-L-argininamide BDBM50451493
Inchi Key	BJCYJTZOIYTVTC-QHCPKHFHSA-N
Inchi ID	InChI=1S/C26H30N6O/c27-23(12-6-14-30-26(28)29)25(33)32(17-20-15-31-24-13-4-3-11-22(20)24)16-19-9-5-8-18-7-1-2-10-21(18)19/h1-5,7-11,13,15,23,31H,6,12,14,16-17,27H2,(H4,28,29,30)/t23-/m0/s1
PubChem CID	71461662
ChEMBL	CHEMBL2113280
IUPHAR	N/A
BindingDB	50451493
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	11000.0 nM	PMID11909711	BindingDB,ChEMBL

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