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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL1173008
Molecular formula	C29H26FN5O3
IUPAC name	N-[3-cyano-4-[3-(4-ethylpiperazin-1-yl)phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
Molecular weight	511.557
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	5.0
Synonyms	BDBM50322302 N-{3-Cyano-4-[3-(4-ethylpiperazin-1-yl)phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl}furan-2-carboxamide SCHEMBL13802118
Inchi Key	JFEAGZFSEPIRLF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H26FN5O3/c1-2-34-10-12-35(13-11-34)21-6-3-5-19(15-21)23-17-25(22-9-8-20(30)16-26(22)36)32-28(24(23)18-31)33-29(37)27-7-4-14-38-27/h3-9,14-17,36H,2,10-13H2,1H3,(H,32,33,37)
PubChem CID	136016519
ChEMBL	CHEMBL1173008
IUPHAR	N/A
BindingDB	50322302
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	47.0 nM	PMID20580563	BindingDB,ChEMBL

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