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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	CHEMBL2152052
Molecular formula	C63H83N15O14
IUPAC name	(2S)-N-[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide
Molecular weight	1274.45
Hydrogen bond acceptor	16
Hydrogen bond donor	17
XlogP	-1.1
Synonyms	BDBM50392482
Inchi Key	GROOMILQRYWLKS-IPHVNIDGSA-N
Inchi ID	InChI=1S/C63H83N15O14/c1-35(2)25-46(59(88)72-44(19-11-12-24-64)58(87)73-45(55(68)84)27-36-13-5-3-6-14-36)71-54(83)33-70-57(86)47(28-37-15-7-4-8-16-37)75-63(92)51(34-79)78-62(91)50(31-53(67)82)77-60(89)48(29-39-32-69-43-18-10-9-17-41(39)43)76-61(90)49(30-52(66)81)74-56(85)42(65)26-38-20-22-40(80)23-21-38/h3-10,13-18,20-23,32,35,42,44-51,69,79-80H,11-12,19,24-31,33-34,64-65H2,1-2H3,(H2,66,81)(H2,67,82)(H2,68,84)(H,70,86)(H,71,83)(H,72,88)(H,73,87)(H,74,85)(H,75,92)(H,76,90)(H,77,89)(H,78,91)/t42-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
PubChem CID	71458410
ChEMBL	CHEMBL2152052
IUPHAR	N/A
BindingDB	50392482
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	0.27 nM	PMID22995619	BindingDB,ChEMBL
Ratio EC50	4.2 -	PMID22995619	ChEMBL

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