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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	CHEMBL439494
Molecular formula	C69H108N20O18
IUPAC name	(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid
Molecular weight	1505.74
Hydrogen bond acceptor	22
Hydrogen bond donor	20
XlogP	-7.4
Synonyms	BDBM50133192 Compound NT
Inchi Key	PIFPEOIFYCDCNA-TXSOCPGVSA-N
Inchi ID	InChI=1S/C69H108N20O18/c1-5-38(4)56(67(106)107)87-62(101)49(34-40-19-23-42(91)24-20-40)86-64(103)52-16-11-31-89(52)66(105)46(14-9-29-78-69(75)76)82-59(98)44(13-8-28-77-68(73)74)81-63(102)51-15-10-30-88(51)65(104)45(12-6-7-27-70)83-61(100)50(35-53(72)92)80-54(93)36-79-58(97)48(33-39-17-21-41(90)22-18-39)85-60(99)47(32-37(2)3)84-57(96)43(71)25-26-55(94)95/h17-24,37-38,43-52,56,90-91H,5-16,25-36,70-71H2,1-4H3,(H2,72,92)(H,79,97)(H,80,93)(H,81,102)(H,82,98)(H,83,100)(H,84,96)(H,85,99)(H,86,103)(H,87,101)(H,94,95)(H,106,107)(H4,73,74,77)(H4,75,76,78)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-/m0/s1
PubChem CID	44354111
ChEMBL	CHEMBL439494
IUPHAR	N/A
BindingDB	50133192
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
260433	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418
260434	Neurotensin receptor type 2	O95665	NTSR2	Homo sapiens (Human)	410

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