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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	CHEMBL3982675
Molecular formula	C59H82N16O13
IUPAC name	(2S)-2-[[(3S)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carbonyl]amino]-N-[(2S,3R)-1-[[(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]-3-hydroxy-1-oxobutan-2-yl]butanediamide
Molecular weight	1223.4
Hydrogen bond acceptor	14
Hydrogen bond donor	16
XlogP	-0.3
Synonyms	BDBM50196437
Inchi Key	AQWHKHMLNBUPJS-NZAHRQIBSA-N
Inchi ID	InChI=1S/C59H82N16O13/c1-32(2)25-44(53(83)67-42(18-11-23-64-58(62)63-5)52(82)68-43(50(61)80)28-38-30-65-41-17-10-9-16-40(38)41)71-59(88)74-73-55(85)45(26-35-13-7-6-8-14-35)70-56(86)49(33(3)76)72-54(84)46(29-48(60)79)69-51(81)37-15-12-24-75(31-37)57(87)47(66-34(4)77)27-36-19-21-39(78)22-20-36/h6-10,13-14,16-17,19-22,30,32-33,37,42-47,49,65,76,78H,11-12,15,18,23-29,31H2,1-5H3,(H2,60,79)(H2,61,80)(H,66,77)(H,67,83)(H,68,82)(H,69,81)(H,70,86)(H,72,84)(H,73,85)(H3,62,63,64)(H2,71,74,88)/t33-,37+,42+,43+,44+,45+,46+,47-,49+/m1/s1
PubChem CID	134157735
ChEMBL	CHEMBL3982675
IUPHAR	N/A
BindingDB	50196437
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	45.0 nM	PMID27589480	BindingDB,ChEMBL

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