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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	CHEMBL3422407
Molecular formula	C65H85N17O16
IUPAC name	(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-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]butanediamide
Molecular weight	1360.5
Hydrogen bond acceptor	17
Hydrogen bond donor	20
XlogP	-1.9
Synonyms	BDBM50082073 SCHEMBL15930214
Inchi Key	CDIVFGPLVNRLER-YDFDUYJKSA-N
Inchi ID	InChI=1S/C65H85N17O16/c1-34(2)24-46(59(93)76-44(14-9-23-71-65(69)70)58(92)77-45(56(68)90)25-37-15-19-40(85)20-16-37)75-55(89)32-73-57(91)47(26-36-10-5-4-6-11-36)78-64(98)52(33-83)82-63(97)51(30-54(67)88)81-61(95)49(28-39-31-72-43-13-8-7-12-42(39)43)79-62(96)50(29-53(66)87)80-60(94)48(74-35(3)84)27-38-17-21-41(86)22-18-38/h4-8,10-13,15-22,31,34,44-52,72,83,85-86H,9,14,23-30,32-33H2,1-3H3,(H2,66,87)(H2,67,88)(H2,68,90)(H,73,91)(H,74,84)(H,75,89)(H,76,93)(H,77,92)(H,78,98)(H,79,96)(H,80,94)(H,81,95)(H,82,97)(H4,69,70,71)/t44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
PubChem CID	90324505
ChEMBL	CHEMBL3422407
IUPHAR	N/A
BindingDB	50082073
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
443244	KiSS-1 receptor	Q969F8	KISS1R	Homo sapiens (Human)	398
443243	Neuropeptide FF receptor 1	Q9GZQ6	NPFFR1	Homo sapiens (Human)	430

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