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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	CHEMBL3908400
Molecular formula	C70H112N24O17S2
IUPAC name	(2S)-2-[[(2S)-1-[[2-[4-[2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]piperazin-1-yl]acetyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide
Molecular weight	1625.94
Hydrogen bond acceptor	24
Hydrogen bond donor	20
XlogP	-4.6
Synonyms	N/A
Inchi Key	GMXZCVRRZVYOJD-USAPKUQSSA-N
Inchi ID	InChI=1S/C70H112N24O17S2/c1-38(2)25-49(66(108)86-46(60(72)102)18-24-112-9)87-67(109)51(27-43-29-75-36-80-43)84-55(98)30-78-69(111)59(39(3)4)91-61(103)40(5)82-65(107)50(26-42-28-77-45-14-11-10-13-44(42)45)88-63(105)48(16-17-54(71)97)83-47(15-12-19-76-70(73)74)64(106)90-57(100)33-93-20-22-94(23-21-93)58(101)31-79-62(104)53(35-113-37-81-41(6)96)89-68(110)52(34-95)85-56(99)32-92(7)8/h10-11,13-14,28-29,36,38-40,46-53,59,77,83,95H,12,15-27,30-35,37H2,1-9H3,(H2,71,97)(H2,72,102)(H,75,80)(H,78,111)(H,79,104)(H,81,96)(H,82,107)(H,84,98)(H,85,99)(H,86,108)(H,87,109)(H,88,105)(H,89,110)(H,91,103)(H4,73,74,76)(H,90,100,106)/t40-,46-,47-,48-,49-,50-,51-,52-,53-,59-/m0/s1
PubChem CID	134132419
ChEMBL	CHEMBL3908400
IUPHAR	N/A
BindingDB	N/A
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
549102	Gastrin-releasing peptide receptor	P30550	GRPR	Homo sapiens (Human)	384

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