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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	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	CHEMBL3314210
Molecular formula	C63H79N17O11
IUPAC name	(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-pyridin-4-ylpropanoyl]amino]-N-[(1S)-2-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxo-1-phenylethyl]butanediamide
Molecular weight	1250.43
Hydrogen bond acceptor	14
Hydrogen bond donor	16
XlogP	1.6
Synonyms	BDBM50045519
Inchi Key	QMCDNJYXERIWBT-MAFOVJSISA-N
Inchi ID	InChI=1S/C63H79N17O11/c1-36(2)29-48(57(86)72-46(19-12-26-70-62(67)68-3)56(85)73-47(54(66)83)33-41-35-71-45-18-11-10-17-43(41)45)77-63(91)80-79-60(89)50(31-37-13-6-4-7-14-37)76-61(90)53(40-15-8-5-9-16-40)78-59(88)51(34-52(65)82)75-58(87)49(32-39-24-27-69-28-25-39)74-55(84)44(64)30-38-20-22-42(81)23-21-38/h4-11,13-18,20-25,27-28,35-36,44,46-51,53,71,81H,12,19,26,29-34,64H2,1-3H3,(H2,65,82)(H2,66,83)(H,72,86)(H,73,85)(H,74,84)(H,75,87)(H,76,90)(H,78,88)(H,79,89)(H3,67,68,70)(H2,77,80,91)/t44-,46+,47+,48+,49-,50+,51+,53+/m1/s1
PubChem CID	118707479
ChEMBL	CHEMBL3314210
IUPHAR	N/A
BindingDB	50045519
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	110.0 nM	PMID24918545	BindingDB,ChEMBL

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