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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	CHEMBL289310
Molecular formula	C25H35N5O7S
IUPAC name	(3S)-4-amino-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular weight	549.643
Hydrogen bond acceptor	8
Hydrogen bond donor	6
XlogP	0.8
Synonyms	3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-succinamic acid BDBM50026299
Inchi Key	PXSQBRBIFHOIGT-FHWLQOOXSA-N
Inchi ID	InChI=1S/C25H35N5O7S/c1-25(2,3)37-24(36)30-19(11-14-13-27-16-8-6-5-7-15(14)16)23(35)28-17(9-10-38-4)22(34)29-18(21(26)33)12-20(31)32/h5-8,13,17-19,27H,9-12H2,1-4H3,(H2,26,33)(H,28,35)(H,29,34)(H,30,36)(H,31,32)/t17-,18-,19-/m0/s1
PubChem CID	13503156
ChEMBL	CHEMBL289310
IUPHAR	N/A
BindingDB	50026299
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.

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
271616	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
271615	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452
271614	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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