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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	CHEMBL1164988
Molecular formula	C26H20ClN5O3S
IUPAC name	N-[4-[3-(3-aminopropanoylamino)phenyl]-6-(5-chloro-2-hydroxyphenyl)-3-cyanopyridin-2-yl]thiophene-2-carboxamide
Molecular weight	517.988
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	4.6
Synonyms	SCHEMBL5015420 BDBM50320808 N-{4-[3-(beta-Alanylamino)phenyl]-6-(5-chloro-2-hydroxyphenyl)-3-cyanopyridin-2-yl}thiophene-2-carboxamide
Inchi Key	DTJMNATYCITOOF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H20ClN5O3S/c27-16-6-7-22(33)19(12-16)21-13-18(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)
PubChem CID	136016373
ChEMBL	CHEMBL1164988
IUPHAR	N/A
BindingDB	50320808
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	490.0 nM	PMID20457527	BindingDB,ChEMBL

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