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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	CHEMBL389708
Molecular formula	C41H52N10O7
IUPAC name	N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide
Molecular weight	796.93
Hydrogen bond acceptor	8
Hydrogen bond donor	10
XlogP	1.9
Synonyms	BDBM50216063 SCHEMBL5128677 (2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-{2-[(2S)-2-[(4-hydroxyphenyl)formamido]-3-phenylpropanamido]acetamido}-4-methylpentanamide
Inchi Key	DCYVADUTOCHPQF-CUPIEXAXSA-N
Inchi ID	InChI=1S/C41H52N10O7/c1-24(2)19-33(48-35(53)23-47-38(56)34(20-25-9-4-3-5-10-25)51-37(55)26-14-16-28(52)17-15-26)40(58)49-31(13-8-18-45-41(43)44)39(57)50-32(36(42)54)21-27-22-46-30-12-7-6-11-29(27)30/h3-7,9-12,14-17,22,24,31-34,46,52H,8,13,18-21,23H2,1-2H3,(H2,42,54)(H,47,56)(H,48,53)(H,49,58)(H,50,57)(H,51,55)(H4,43,44,45)/t31-,32-,33-,34-/m0/s1
PubChem CID	16736192
ChEMBL	CHEMBL389708
IUPHAR	N/A
BindingDB	50216063
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	94.6 %	PMID17579384	ChEMBL
EC50	2.1 nM	PMID17579384	BindingDB,ChEMBL
Ratio EC50	3.0 -	PMID17579384	ChEMBL

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