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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	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	CHEMBL1171797
Molecular formula	C32H32FN5O4
IUPAC name	N-[3-cyano-4-[3-[3-(diethylamino)pentanoylamino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
Molecular weight	569.637
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	5.6
Synonyms	BDBM50322314 rac-N-[3-Cyano-4-(3-{[3-(diethylamino)pentanoyl]amino}phenyl)-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide SCHEMBL13802091
Inchi Key	BXTVJJPJKSYGAH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H32FN5O4/c1-4-23(38(5-2)6-3)17-30(40)35-22-10-7-9-20(15-22)25-18-27(24-13-12-21(33)16-28(24)39)36-31(26(25)19-34)37-32(41)29-11-8-14-42-29/h7-16,18,23,39H,4-6,17H2,1-3H3,(H,35,40)(H,36,37,41)
PubChem CID	136016480
ChEMBL	CHEMBL1171797
IUPHAR	N/A
BindingDB	50322314
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
IC50	22.0 nM	PMID20580563	BindingDB,ChEMBL

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