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GLASS

You can:

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	CHEMBL1209788
Molecular formula	C33H38ClF2N3O3
IUPAC name	2-[(1S)-5-chloro-1'-[(3S,4R)-4-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine-3-carbonyl]-6-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]-2-methylpropanenitrile
Molecular weight	598.132
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.8
Synonyms	BDBM50323441 2-((S)-6-chloro-1''-((3S,4R)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-pyran-4-yl)pyrrolidine-3-carbonyl)-5-methyl-3H-spiro[isobenzofuran-1,4''-piperidine]-3-yl)-2-methylpropanenitrile
Inchi Key	BCFFSQJVHOEAAU-MWSYKCOMSA-N
Inchi ID	InChI=1S/C33H38ClF2N3O3/c1-20-14-24-27(16-28(20)34)33(42-30(24)32(2,3)19-37)8-10-38(11-9-33)31(40)26-18-39(22-6-12-41-13-7-22)17-25(26)23-5-4-21(35)15-29(23)36/h4-5,14-16,22,25-26,30H,6-13,17-18H2,1-3H3/t25-,26+,30-/m0/s1
PubChem CID	46919520
ChEMBL	CHEMBL1209788
IUPHAR	N/A
BindingDB	50323441
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	1.0 %	PMID20621473	ChEMBL
IC50	122.7 nM	PMID20621473	ChEMBL
IC50	123.0 nM	PMID20621473	BindingDB

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