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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	Rattus norvegicus (Rat)
Gene	Kiss1r
Synonym	Metastin receptor Kisspeptins receptor kisspeptin receptor KiSS1-derived peptide receptor KiSS-1R kiSS-1 receptor hOT7T175 GPR54 G-protein coupled receptor OT7T175 G-protein coupled receptor 54 rOT7T175 [ Show all ]
Disease	N/A for non-human GPCRs
Length	396
Amino acid sequence	MAAEATLGPNVSWWAPSNASGCPGCGVNASDGPGSAPRPLDAWLVPLFFAALMLLGLVGNSLVIFVICRHKHMQTVTNFYIANLAATDVTFLLCCVPFTALLYPLPTWVLGDFMCKFVNYIQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALTVSLSIWVGSAAVSAPVLALHRLSPGPHTYCSEAFPSRALERAFALYNLLALYLLPLLATCACYGAMLRHLGRAAVRPAPTDGALQGQLLAQRAGAVRTKVSRLVAAVVLLFAACWGPIQLFLVLQALGPSGAWHPRSYAAYALKIWAHCMSYSNSALNPLLYAFLGSHFRQAFCRVCPCGPQRQRRPHASAHSDRAAPHSVPHSRAAHPVRVRTPEPGNPVRRSPSVQDEHTAPL
UniProt	Q924U1
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1169599
IUPHAR	266
DrugBank	N/A

Ligand

Name	CHEMBL1173643
Molecular formula	C27H22FN5O3
IUPAC name	N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)pyridin-2-yl]furan-2-carboxamide
Molecular weight	483.503
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	4.2
Synonyms	N-[3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazinophenyl)-2-pyridyl]-2-furancarboxamide SCHEMBL13802047 BDBM50322299 N-[3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)pyridin-2-yl]furan-2-carboxamide
Inchi Key	UCWLBOAGWWOUDD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H22FN5O3/c28-18-6-7-20(24(34)14-18)23-15-21(17-3-1-4-19(13-17)33-10-8-30-9-11-33)22(16-29)26(31-23)32-27(35)25-5-2-12-36-25/h1-7,12-15,30,34H,8-11H2,(H,31,32,35)
PubChem CID	135401501
ChEMBL	CHEMBL1173643
IUPHAR	N/A
BindingDB	50322299
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	15.0 nM	PMID20580563	BindingDB,ChEMBL

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