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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	KiSS-1 receptor
Species	Homo sapiens (Human)
Gene	KISS1R
Synonym	Metastin receptor Kisspeptins receptor kisspeptin receptor KiSS1-derived peptide receptor KiSS-1R kiSS-1 receptor Hypogonadotropin-1 hOT7T175 GPR54 G-protein coupled receptor OT7T175 G-protein coupled receptor 54 [ Show all ]
Disease	Prostate cancer
Length	398
Amino acid sequence	MHTVATSGPNASWGAPANASGCPGCGANASDGPVPSPRAVDAWLVPLFFAALMLLGLVGNSLVIYVICRHKPMRTVTNFYIANLAATDVTFLLCCVPFTALLYPLPGWVLGDFMCKFVNYIQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALAVSLSIWVGSAAVSAPVLALHRLSPGPRAYCSEAFPSRALERAFALYNLLALYLLPLLATCACYAAMLRHLGRVAVRPAPADSALQGQVLAERAGAVRAKVSRLVAAVVLLFAACWGPIQLFLVLQALGPAGSWHPRSYAAYALKTWAHCMSYSNSALNPLLYAFLGSHFRQAFRRVCPCAPRRPRRPRRPGPSDPAAPHAELLRLGSHPAPARAQKPGSSGLAARGLCVLGEDNAPL
UniProt	Q969F8
Protein Data Bank	N/A
GPCR-HGmod model	Q969F8
3D structure model	This predicted structure model is from GPCR-EXP Q969F8.
BioLiP	N/A
Therapeutic Target Database	T39123
ChEMBL	CHEMBL5413
IUPHAR	266
DrugBank	N/A

Ligand

Name	US8592379, 37
Molecular formula	C11H23NO2
IUPAC name	(5S)-5-hydroxy-6-(methylamino)-3-(2-methylpropyl)hexan-2-one
Molecular weight	201.31
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.9
Synonyms	CHEMBL3645504 BDBM107314 SCHEMBL12891705 US8592379, 36
Inchi Key	DXAGOQFKSWOAON-DTIOYNMSSA-N
Inchi ID	InChI=1S/C11H23NO2/c1-8(2)5-10(9(3)13)6-11(14)7-12-4/h8,10-12,14H,5-7H2,1-4H3/t10?,11-/m0/s1
PubChem CID	58143618
ChEMBL	CHEMBL3645504
IUPHAR	N/A
BindingDB	107314
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.24 nM	, None	BindingDB,ChEMBL
IC50	32.0 nM	, None	BindingDB,ChEMBL

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