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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	CHEMBL1164939
Molecular formula	C27H23N5O3S
IUPAC name	N-[4-[3-(4-aminobutanoylamino)phenyl]-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
Molecular weight	497.573
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	3.8
Synonyms	N-[4-{3-[(4-Aminobutanoyl)amino]phenyl}-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl]thiophene-2-carboxamide SCHEMBL13801676 BDBM50320802
Inchi Key	FPOGTNUPLKGKAG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H23N5O3S/c28-12-4-11-25(34)30-18-7-3-6-17(14-18)20-15-22(19-8-1-2-9-23(19)33)31-26(21(20)16-29)32-27(35)24-10-5-13-36-24/h1-3,5-10,13-15,33H,4,11-12,28H2,(H,30,34)(H,31,32,35)
PubChem CID	136016360
ChEMBL	CHEMBL1164939
IUPHAR	N/A
BindingDB	50320802
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	34.0 nM	PMID20457527	BindingDB,ChEMBL
IC50	1400.0 nM	PMID20457527	BindingDB,ChEMBL

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