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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL3314226
Molecular formula	C66H85N17O13
IUPAC name	(2S)-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]-2-[[(2R)-2-[[(2R)-2-(cyclopropanecarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanediamide
Molecular weight	1324.51
Hydrogen bond acceptor	14
Hydrogen bond donor	18
XlogP	1.6
Synonyms	BDBM50045509
Inchi Key	ROUIGZVDXBTXSV-XKULFVCRSA-N
Inchi ID	InChI=1S/C66H85N17O13/c1-35(2)27-49(59(90)74-47(19-12-26-71-65(69)70-4)58(89)75-48(56(68)87)30-40-33-72-45-17-10-8-15-43(40)45)80-66(96)83-82-63(94)51(28-37-13-6-5-7-14-37)79-64(95)55(36(3)84)81-62(93)53(32-54(67)86)78-61(92)52(31-41-34-73-46-18-11-9-16-44(41)46)77-60(91)50(76-57(88)39-22-23-39)29-38-20-24-42(85)25-21-38/h5-11,13-18,20-21,24-25,33-36,39,47-53,55,72-73,84-85H,12,19,22-23,26-32H2,1-4H3,(H2,67,86)(H2,68,87)(H,74,90)(H,75,89)(H,76,88)(H,77,91)(H,78,92)(H,79,95)(H,81,93)(H,82,94)(H3,69,70,71)(H2,80,83,96)/t36-,47+,48+,49+,50-,51+,52-,53+,55+/m1/s1
PubChem CID	118707494
ChEMBL	CHEMBL3314226
IUPHAR	N/A
BindingDB	50045509
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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
453660	KiSS-1 receptor	Q969F8	KISS1R	Homo sapiens (Human)	398
453661	KiSS-1 receptor	Q924U1	Kiss1r	Rattus norvegicus (Rat)	396

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