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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	SCHEMBL2348398
Molecular formula	C33H39ClN6O2
IUPAC name	(E)-3-(3-chlorophenyl)-N-[[(3S,5S)-3-[3-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]prop-2-enamide
Molecular weight	587.165
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	4.2
Synonyms	US9340517, 177 CHEMBL3960297 BDBM231790
Inchi Key	AXIUEUSYSMXVQP-AVYIKKKCSA-N
Inchi ID	InChI=1S/C33H39ClN6O2/c34-27-14-7-9-24(21-27)16-17-31(41)38-22-28-18-20-40(32(42)30(39-28)15-8-19-37-33(35)36)23-29(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-7,9-14,16-17,21,28-30,39H,8,15,18-20,22-23H2,(H,38,41)(H4,35,36,37)/b17-16+/t28-,30-/m0/s1
PubChem CID	44208748
ChEMBL	CHEMBL3960297
IUPHAR	N/A
BindingDB	231790
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	>100.0 nM	, None	BindingDB,ChEMBL

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