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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	CHEMBL1163739
Molecular formula	C27H23N5O4
IUPAC name	N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(2-hydroxyphenyl)-5-methylpyridin-2-yl]furan-2-carboxamide
Molecular weight	481.512
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	3.7
Synonyms	BDBM50320824 N-{4-[3-(b-Alanylamino)phenyl]-3-cyano-6-(2-hydroxyphenyl)-5-methylpyridin-2-yl}furan-2-carboxamide SCHEMBL13802031
Inchi Key	GIEQJUHXNONDDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H23N5O4/c1-16-24(17-6-4-7-18(14-17)30-23(34)11-12-28)20(15-29)26(32-27(35)22-10-5-13-36-22)31-25(16)19-8-2-3-9-21(19)33/h2-10,13-14,33H,11-12,28H2,1H3,(H,30,34)(H,31,32,35)
PubChem CID	136016413
ChEMBL	CHEMBL1163739
IUPHAR	N/A
BindingDB	50320824
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	1200.0 nM	PMID20457527	BindingDB,ChEMBL

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