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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	CHEMBL95063
Molecular formula	C25H33N5O7
IUPAC name	(3S)-4-amino-3-[[(2S)-1-[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
Molecular weight	515.567
Hydrogen bond acceptor	7
Hydrogen bond donor	5
XlogP	1.2
Synonyms	3-({1-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionyl]-pyrrolidine-2-carbonyl}-amino)-succinamic acid BDBM50026293
Inchi Key	KCZPYRUXPDHPJX-FHWLQOOXSA-N
Inchi ID	InChI=1S/C25H33N5O7/c1-25(2,3)37-24(36)29-18(11-14-13-27-16-8-5-4-7-15(14)16)23(35)30-10-6-9-19(30)22(34)28-17(21(26)33)12-20(31)32/h4-5,7-8,13,17-19,27H,6,9-12H2,1-3H3,(H2,26,33)(H,28,34)(H,29,36)(H,31,32)/t17-,18-,19-/m0/s1
PubChem CID	44326909
ChEMBL	CHEMBL95063
IUPHAR	N/A
BindingDB	50026293
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
166195	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452
166194	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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