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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.
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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	CHEMBL400252
Molecular formula	C32H42ClN7O2
IUPAC name	(3R)-N-[(2S)-3-(4-chlorophenyl)-1-[4-(2,2-dimethylpropyl)-4-[(1-methyltetrazol-5-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight	592.185
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.4
Synonyms	BDBM50220696 (R)-N-((S)-3-(4-chlorophenyl)-1-(4-((1-methyl-1H-tetrazol-5-yl)methyl)-4-neopentylpiperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Inchi Key	BPBFRWGCYGZAPG-SXOMAYOGSA-N
Inchi ID	InChI=1S/C32H42ClN7O2/c1-31(2,3)21-32(19-28-36-37-38-39(28)4)13-15-40(16-14-32)30(42)27(17-22-9-11-25(33)12-10-22)35-29(41)26-18-23-7-5-6-8-24(23)20-34-26/h5-12,26-27,34H,13-21H2,1-4H3,(H,35,41)/t26-,27+/m1/s1
PubChem CID	44441643
ChEMBL	CHEMBL400252
IUPHAR	N/A
BindingDB	50220696
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
Activity	27.0 %	PMID17768046	ChEMBL
EC50	380.0 nM	PMID17768046	BindingDB,ChEMBL

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