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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	CHEMBL1169901
Molecular formula	C27H22FN5O4
IUPAC name	N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-[3-(methylamino)propanoylamino]phenyl]pyridin-2-yl]furan-2-carboxamide
Molecular weight	499.502
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	4.0
Synonyms	SCHEMBL13802078 BDBM50322307 N-[3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-{3-[(N-methylbeta-alanyl)amino]phenyl}pyridin-2-yl]furan-2-carboxamide
Inchi Key	ZDHYMLQLFLRUGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H22FN5O4/c1-30-10-9-25(35)31-18-5-2-4-16(12-18)20-14-22(19-8-7-17(28)13-23(19)34)32-26(21(20)15-29)33-27(36)24-6-3-11-37-24/h2-8,11-14,30,34H,9-10H2,1H3,(H,31,35)(H,32,33,36)
PubChem CID	136016472
ChEMBL	CHEMBL1169901
IUPHAR	N/A
BindingDB	50322307
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	4.6 nM	PMID20580563	BindingDB,ChEMBL

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