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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL236861
Molecular formula	C34H44ClN3O
IUPAC name	N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(1H-indol-3-yl)butanamide
Molecular weight	546.196
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	7.3
Synonyms	CHEMBL237920 N-((1R,4r)-4-(((1r,4R)-4-aminocyclohexyl)methyl)cyclohexyl)-N-((Z)-2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide BDBM50217674 (Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide BDBM50217729
Inchi Key	CRXBLMIVMQUQBT-IADYIPOJSA-N
Inchi ID	InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-
PubChem CID	44434690
ChEMBL	CHEMBL236861
IUPHAR	N/A
BindingDB	50217674
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3200.0 nM	PMID17618123	ChEMBL
Ki	4900.0 nM	PMID17618123	BindingDB,ChEMBL
Ki	5400.0 nM	PMID17618123	ChEMBL
Ki	8700.0 nM	PMID17618123	ChEMBL
Ki	47000.0 nM	PMID17618123	ChEMBL

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