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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	CHEMBL94448
Molecular formula	C29H42N6O8
IUPAC name	(2S)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular weight	602.689
Hydrogen bond acceptor	8
Hydrogen bond donor	7
XlogP	1.2
Synonyms	BDBM50026280 2-{2-[2-(2-tert-Butoxycarbonylamino-propionylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-succinamic acid
Inchi Key	MFHPUUTXUOUZBD-KPQYALRZSA-N
Inchi ID	InChI=1S/C29H42N6O8/c1-15(2)11-20(25(38)35-22(27(40)41)13-23(30)36)34-26(39)21(12-17-14-31-19-10-8-7-9-18(17)19)33-24(37)16(3)32-28(42)43-29(4,5)6/h7-10,14-16,20-22,31H,11-13H2,1-6H3,(H2,30,36)(H,32,42)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t16-,20-,21-,22-/m0/s1
PubChem CID	44326986
ChEMBL	CHEMBL94448
IUPHAR	N/A
BindingDB	50026280
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
204050	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452
204051	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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