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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	CHEMBL1171977
Molecular formula	C27H22FN5O4
IUPAC name	N-[3-cyano-4-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
Molecular weight	499.502
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	4.0
Synonyms	N-[3-Cyano-4-{3-[(N,N-dimethylglycyl)amino]phenyl}-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide BDBM50322295
Inchi Key	HYCGCNWUUVRFCO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H22FN5O4/c1-33(2)15-25(35)30-18-6-3-5-16(11-18)20-13-22(19-9-8-17(28)12-23(19)34)31-26(21(20)14-29)32-27(36)24-7-4-10-37-24/h3-13,34H,15H2,1-2H3,(H,30,35)(H,31,32,36)
PubChem CID	136016490
ChEMBL	CHEMBL1171977
IUPHAR	N/A
BindingDB	50322295
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	12.0 nM	PMID20580563	BindingDB,ChEMBL

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